N-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3,4-dimethyl-benzamide

Systemtic Name: N-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3,4-dimethyl-benzamide Openeye Name: N-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-oxo-ethyl]-3,4-dimethyl-benzamide CAS Name: N-[2-[4-(1-azepanylsulfonyl)-1-piperazinyl]-2-oxoethyl]-3,4-dimethylbenzamide IUPAC Name: N-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethylbenzamide Traditional Name: N-[2-[4-(azepan-1-ylsulfonyl)piperazino]-2-keto-ethyl]-3,4-dimethyl-benzamide Formula: C21H32N4O4S MolecularWeight: 436.56818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3)C

InChI

InChI=1S/C21H32N4O4S/c1-17-7-8-19(15-18(17)2)21(27)22-16-20(26)23-11-13-25(14-12-23)30(28,29)24-9-5-3-4-6-10-24/h7-8,15H,3-6,9-14,16H2,1-2H3,(H,22,27)