N-[2-(3,5-dimethylphenyl)-3-[2-[4-[4-(methylsulfonylamino)phenyl]butyl-(phenylmethyl)amino]ethyl]-1H-indol-5-yl]pyridine-3-carboxamide

Systemtic Name: N-[2-(3,5-dimethylphenyl)-3-[2-[4-[4-(methylsulfonylamino)phenyl]butyl-(phenylmethyl)amino]ethyl]-1H-indol-5-yl]pyridine-3-carboxamide Openeye Name: N-[3-[2-[benzyl-[4-[4-(methanesulfonamido)phenyl]butyl]amino]ethyl]-2-(3,5-dimethylphenyl)-1H-indol-5-yl]pyridine-3-carboxamide CAS Name: N-[2-(3,5-dimethylphenyl)-3-[2-[4-[4-(methanesulfonamido)phenyl]butyl-(phenylmethyl)amino]ethyl]-1H-indol-5-yl]-3-pyridinecarboxamide IUPAC Name: N-[3-[2-[benzyl-[4-[4-(methanesulfonamido)phenyl]butyl]amino]ethyl]-2-(3,5-dimethylphenyl)-1H-indol-5-yl]pyridine-3-carboxamide Traditional Name: N-[3-[2-[benzyl-[4-[4-(methanesulfonamido)phenyl]butyl]amino]ethyl]-2-(3,5-dimethylphenyl)-1H-indol-5-yl]nicotinamide Formula: C42H45N5O3S MolecularWeight: 699.9034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=C(C3=C(N2)C=CC(=C3)NC(=O)C4=CN=CC=C4)CCN(CCCCC5=CC=C(C=C5)NS(=O)(=O)C)CC6=CC=CC=C6)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=C(C3=C(N2)C=CC(=C3)NC(=O)C4=CN=CC=C4)CCN(CCCCC5=CC=C(C=C5)NS(=O)(=O)C)CC6=CC=CC=C6)C

InChI

InChI=1S/C42H45N5O3S/c1-30-24-31(2)26-35(25-30)41-38(39-27-37(18-19-40(39)45-41)44-42(48)34-13-9-21-43-28-34)20-23-47(29-33-11-5-4-6-12-33)22-8-7-10-32-14-16-36(17-15-32)46-51(3,49)50/h4-6,9,11-19,21,24-28,45-46H,7-8,10,20,22-23,29H2,1-3H3,(H,44,48)