N-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3,5-dimethyl-benzamide

Systemtic Name: N-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3,5-dimethyl-benzamide Openeye Name: N-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-oxo-ethyl]-3,5-dimethyl-benzamide CAS Name: N-[2-[4-(1-azepanylsulfonyl)-1-piperazinyl]-2-oxoethyl]-3,5-dimethylbenzamide IUPAC Name: N-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-oxoethyl]-3,5-dimethylbenzamide Traditional Name: N-[2-[4-(azepan-1-ylsulfonyl)piperazino]-2-keto-ethyl]-3,5-dimethyl-benzamide Formula: C21H32N4O4S MolecularWeight: 436.56818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4O4S/c1-17-13-18(2)15-19(14-17)21(27)22-16-20(26)23-9-11-25(12-10-23)30(28,29)24-7-5-3-4-6-8-24/h13-15H,3-12,16H2,1-2H3,(H,22,27)