2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-[(3,4-dimethylphenyl)carbamoyl]ethanamide

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-[(3,4-dimethylphenyl)carbamoyl]ethanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-[(3,4-dimethylphenyl)carbamoyl]acetamide CAS Name: 2-[4-(1-azepanylsulfonyl)-1-piperazinyl]-N-[(3,4-dimethylanilino)-oxomethyl]acetamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-[(3,4-dimethylphenyl)carbamoyl]acetamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)piperazino]-N-[(3,4-dimethylphenyl)carbamoyl]acetamide Formula: C21H33N5O4S MolecularWeight: 451.58282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NC(=O)CN2CCN(CC2)S(=O)(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NC(=O)CN2CCN(CC2)S(=O)(=O)N3CCCCCC3)C

InChI

InChI=1S/C21H33N5O4S/c1-17-7-8-19(15-18(17)2)22-21(28)23-20(27)16-24-11-13-26(14-12-24)31(29,30)25-9-5-3-4-6-10-25/h7-8,15H,3-6,9-14,16H2,1-2H3,(H2,22,23,27,28)