4-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]ethanoyl]-3,3-dimethyl-1H-quinoxalin-2-one

Systemtic Name: 4-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]ethanoyl]-3,3-dimethyl-1H-quinoxalin-2-one Openeye Name: 4-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one CAS Name: 4-[2-[4-(1-azepanylsulfonyl)-1-piperazinyl]-1-oxoethyl]-3,3-dimethyl-1H-quinoxalin-2-one IUPAC Name: 4-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one Traditional Name: 4-[2-[4-(azepan-1-ylsulfonyl)piperazino]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one Formula: C22H33N5O4S MolecularWeight: 463.59352

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NC2=CC=CC=C2N1C(=O)CN3CCN(CC3)S(=O)(=O)N4CCCCCC4)C

Isomeric SMILES

CC1(C(=O)NC2=CC=CC=C2N1C(=O)CN3CCN(CC3)S(=O)(=O)N4CCCCCC4)C

InChI

InChI=1S/C22H33N5O4S/c1-22(2)21(29)23-18-9-5-6-10-19(18)27(22)20(28)17-24-13-15-26(16-14-24)32(30,31)25-11-7-3-4-8-12-25/h5-6,9-10H,3-4,7-8,11-17H2,1-2H3,(H,23,29)