N-[3-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]quinoxalin-2-yl]benzenesulfonamide

Systemtic Name: N-[3-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]quinoxalin-2-yl]benzenesulfonamide Openeye Name: N-[3-[4-(azepane-1-carbonyl)-1-piperidyl]quinoxalin-2-yl]benzenesulfonamide CAS Name: N-[3-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-2-quinoxalinyl]benzenesulfonamide IUPAC Name: N-[3-[4-(azepane-1-carbonyl)piperidin-1-yl]quinoxalin-2-yl]benzenesulfonamide Traditional Name: N-[3-[4-(azepane-1-carbonyl)piperidino]quinoxalin-2-yl]benzenesulfonamide Formula: C26H31N5O3S MolecularWeight: 493.62104

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H31N5O3S/c32-26(31-16-8-1-2-9-17-31)20-14-18-30(19-15-20)25-24(27-22-12-6-7-13-23(22)28-25)29-35(33,34)21-10-4-3-5-11-21/h3-7,10-13,20H,1-2,8-9,14-19H2,(H,27,29)