N-cyclohexyl-2-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-1-ethanoyl-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-5-yl]ethanamide

Systemtic Name: N-cyclohexyl-2-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-1-ethanoyl-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-5-yl]ethanamide Openeye Name: 2-[1-acetyl-3-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]-N-cyclohexyl-acetamide CAS Name: 2-[1-acetyl-3-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]-N-cyclohexylacetamide IUPAC Name: 2-[1-acetyl-3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]-N-cyclohexylacetamide Traditional Name: 2-[1-acetyl-4-keto-3-(naphthionylamino)-2,3-dihydro-1,5-benzodiazepin-5-yl]-N-cyclohexyl-acetamide Formula: C31H37N5O5S MolecularWeight: 591.72098

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(C(=O)N(C2=CC=CC=C21)CC(=O)NC3CCCCC3)NS(=O)(=O)C4=CC=CC5=C4C=CC=C5N(C)C

Isomeric SMILES

CC(=O)N1CC(C(=O)N(C2=CC=CC=C21)CC(=O)NC3CCCCC3)NS(=O)(=O)C4=CC=CC5=C4C=CC=C5N(C)C

InChI

InChI=1S/C31H37N5O5S/c1-21(37)35-19-25(33-42(40,41)29-18-10-13-23-24(29)14-9-17-26(23)34(2)3)31(39)36(28-16-8-7-15-27(28)35)20-30(38)32-22-11-5-4-6-12-22/h7-10,13-18,22,25,33H,4-6,11-12,19-20H2,1-3H3,(H,32,38)