2-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]ethanamide

Systemtic Name: 2-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]ethanamide Openeye Name: 2-[(2-chloro-5-nitro-phenyl)methyl-methyl-amino]-N-[(4-morpholinosulfonylphenyl)methyl]acetamide CAS Name: 2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-N-[[4-(4-morpholinylsulfonyl)phenyl]methyl]acetamide IUPAC Name: 2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide Traditional Name: 2-[(2-chloro-5-nitro-benzyl)-methyl-amino]-N-(4-morpholinosulfonylbenzyl)acetamide Formula: C21H25ClN4O6S MolecularWeight: 496.9644

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)CC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CN(CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)CC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H25ClN4O6S/c1-24(14-17-12-18(26(28)29)4-7-20(17)22)15-21(27)23-13-16-2-5-19(6-3-16)33(30,31)25-8-10-32-11-9-25/h2-7,12H,8-11,13-15H2,1H3,(H,23,27)