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

Systemtic Name: N-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2-methyl-benzamide Openeye Name: N-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-oxo-ethyl]-2-methyl-benzamide CAS Name: N-[2-[4-(1-azepanylsulfonyl)-1-piperazinyl]-2-oxoethyl]-2-methylbenzamide IUPAC Name: N-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-oxoethyl]-2-methylbenzamide Traditional Name: N-[2-[4-(azepan-1-ylsulfonyl)piperazino]-2-keto-ethyl]-2-methyl-benzamide Formula: C20H30N4O4S MolecularWeight: 422.5416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NCC(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=CC=C1C(=O)NCC(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H30N4O4S/c1-17-8-4-5-9-18(17)20(26)21-16-19(25)22-12-14-24(15-13-22)29(27,28)23-10-6-2-3-7-11-23/h4-5,8-9H,2-3,6-7,10-16H2,1H3,(H,21,26)