N-[3-(azepan-1-ylsulfonyl)phenyl]-4-(4-ethanoylpiperazin-1-yl)-4-oxidanylidene-butanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-(4-ethanoylpiperazin-1-yl)-4-oxidanylidene-butanamide Openeye Name: 4-(4-acetylpiperazin-1-yl)-N-[3-(azepan-1-ylsulfonyl)phenyl]-4-oxo-butanamide CAS Name: 4-(4-acetyl-1-piperazinyl)-N-[3-(1-azepanylsulfonyl)phenyl]-4-oxobutanamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)-N-[3-(azepan-1-ylsulfonyl)phenyl]-4-oxobutanamide Traditional Name: 4-(4-acetylpiperazino)-N-[3-(azepan-1-ylsulfonyl)phenyl]-4-keto-butyramide Formula: C22H32N4O5S MolecularWeight: 464.57828

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)CCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)CCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H32N4O5S/c1-18(27)24-13-15-25(16-14-24)22(29)10-9-21(28)23-19-7-6-8-20(17-19)32(30,31)26-11-4-2-3-5-12-26/h6-8,17H,2-5,9-16H2,1H3,(H,23,28)