2-[(4-acetamidophenyl)sulfonyl-methyl-amino]-N-(1,7-dipyridin-3-ylheptan-4-yl)-N-methyl-3-phenyl-propanamide

Systemtic Name: 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]-N-(1,7-dipyridin-3-ylheptan-4-yl)-N-methyl-3-phenyl-propanamide Openeye Name: 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]-N-methyl-3-phenyl-N-[4-(3-pyridyl)-1-[3-(3-pyridyl)propyl]butyl]propanamide CAS Name: 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[1,7-bis(3-pyridinyl)heptan-4-yl]-N-methyl-3-phenylpropanamide IUPAC Name: 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(1,7-dipyridin-3-ylheptan-4-yl)-N-methyl-3-phenylpropanamide Traditional Name: 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]-N-methyl-3-phenyl-N-[4-(3-pyridyl)-1-[3-(3-pyridyl)propyl]butyl]propionamide Formula: C36H43N5O4S MolecularWeight: 641.82272

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)C(CC2=CC=CC=C2)C(=O)N(C)C(CCCC3=CN=CC=C3)CCCC4=CN=CC=C4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)C(CC2=CC=CC=C2)C(=O)N(C)C(CCCC3=CN=CC=C3)CCCC4=CN=CC=C4

InChI

InChI=1S/C36H43N5O4S/c1-28(42)39-32-19-21-34(22-20-32)46(44,45)41(3)35(25-29-11-5-4-6-12-29)36(43)40(2)33(17-7-13-30-15-9-23-37-26-30)18-8-14-31-16-10-24-38-27-31/h4-6,9-12,15-16,19-24,26-27,33,35H,7-8,13-14,17-18,25H2,1-3H3,(H,39,42)