2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-N-[(phenylmethyl)carbamoyl]ethanamide

Systemtic Name: 2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-N-[(phenylmethyl)carbamoyl]ethanamide Openeye Name: 2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-N-(benzylcarbamoyl)acetamide CAS Name: 2-[3-(1-azepanylsulfonyl)-4-methylanilino]-N-[oxo-[(phenylmethyl)amino]methyl]acetamide IUPAC Name: 2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-N-(benzylcarbamoyl)acetamide Traditional Name: 2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-N-(benzylcarbamoyl)acetamide Formula: C23H30N4O4S MolecularWeight: 458.5737

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NCC(=O)NC(=O)NCC2=CC=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NCC(=O)NC(=O)NCC2=CC=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H30N4O4S/c1-18-11-12-20(15-21(18)32(30,31)27-13-7-2-3-8-14-27)24-17-22(28)26-23(29)25-16-19-9-5-4-6-10-19/h4-6,9-12,15,24H,2-3,7-8,13-14,16-17H2,1H3,(H2,25,26,28,29)