N-[2-(azepan-1-ylcarbonyl)phenyl]-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide

Systemtic Name: N-[2-(azepan-1-ylcarbonyl)phenyl]-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide Openeye Name: N-[2-(azepane-1-carbonyl)phenyl]-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide CAS Name: N-[2-[1-azepanyl(oxo)methyl]phenyl]-4-[(4-ethylsulfonyl-1-piperazinyl)methyl]benzamide IUPAC Name: N-[2-(azepane-1-carbonyl)phenyl]-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide Traditional Name: N-[2-(azepane-1-carbonyl)phenyl]-4-[(4-esylpiperazino)methyl]benzamide Formula: C27H36N4O4S MolecularWeight: 512.66414

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1)CC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)N4CCCCCC4

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)CC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)N4CCCCCC4

InChI

InChI=1S/C27H36N4O4S/c1-2-36(34,35)31-19-17-29(18-20-31)21-22-11-13-23(14-12-22)26(32)28-25-10-6-5-9-24(25)27(33)30-15-7-3-4-8-16-30/h5-6,9-14H,2-4,7-8,15-21H2,1H3,(H,28,32)