3-[2-[(6-chloranyl-2-methyl-quinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonyl-amino]-N-[2-(naphthalen-2-ylmethoxy)-4-nitro-phenyl]propanamide

Systemtic Name: 3-[2-[(6-chloranyl-2-methyl-quinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonyl-amino]-N-[2-(naphthalen-2-ylmethoxy)-4-nitro-phenyl]propanamide Openeye Name: 3-[2-[(6-chloro-2-methyl-4-quinolyl)amino]ethyl-(4-methoxyphenyl)sulfonyl-amino]-N-[2-(2-naphthylmethoxy)-4-nitro-phenyl]propanamide CAS Name: 3-[2-[(6-chloro-2-methyl-4-quinolinyl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]-N-[2-(2-naphthalenylmethoxy)-4-nitrophenyl]propanamide IUPAC Name: 3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]-N-[2-(naphthalen-2-ylmethoxy)-4-nitrophenyl]propanamide Traditional Name: 3-[2-[(6-chloro-2-methyl-4-quinolyl)amino]ethyl-(4-methoxyphenyl)sulfonyl-amino]-N-[2-(2-naphthylmethoxy)-4-nitro-phenyl]propionamide Formula: C39H36ClN5O7S MolecularWeight: 754.25044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)Cl)C(=C1)NCCN(CCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])OCC4=CC5=CC=CC=C5C=C4)S(=O)(=O)C6=CC=C(C=C6)OC

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)Cl)C(=C1)NCCN(CCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])OCC4=CC5=CC=CC=C5C=C4)S(=O)(=O)C6=CC=C(C=C6)OC

InChI

InChI=1S/C39H36ClN5O7S/c1-26-21-37(34-23-30(40)9-15-35(34)42-26)41-18-20-44(53(49,50)33-13-11-32(51-2)12-14-33)19-17-39(46)43-36-16-10-31(45(47)48)24-38(36)52-25-27-7-8-28-5-3-4-6-29(28)22-27/h3-16,21-24H,17-20,25H2,1-2H3,(H,41,42)(H,43,46)