N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-[(phenylmethyl)carbamoylamino]propanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-[(phenylmethyl)carbamoylamino]propanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(benzylcarbamoylamino)propanamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-3-[[oxo-[(phenylmethyl)amino]methyl]amino]propanamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-(benzylcarbamoylamino)propanamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(benzylcarbamoylamino)propionamide Formula: C24H32N4O4S MolecularWeight: 472.60028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N4O4S/c1-19-11-12-21(17-22(19)33(31,32)28-15-7-2-3-8-16-28)27-23(29)13-14-25-24(30)26-18-20-9-5-4-6-10-20/h4-6,9-12,17H,2-3,7-8,13-16,18H2,1H3,(H,27,29)(H2,25,26,30)