N-[2-(azepan-1-ylcarbonyl)phenyl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide

Systemtic Name: N-[2-(azepan-1-ylcarbonyl)phenyl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide Openeye Name: N-[2-(azepane-1-carbonyl)phenyl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide CAS Name: N-[2-[1-azepanyl(oxo)methyl]phenyl]-3-[(4-methylsulfonyl-1-piperazinyl)methyl]benzamide IUPAC Name: N-[2-(azepane-1-carbonyl)phenyl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide Traditional Name: N-[2-(azepane-1-carbonyl)phenyl]-3-[(4-mesylpiperazino)methyl]benzamide Formula: C26H34N4O4S MolecularWeight: 498.63756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N4O4S/c1-35(33,34)30-17-15-28(16-18-30)20-21-9-8-10-22(19-21)25(31)27-24-12-5-4-11-23(24)26(32)29-13-6-2-3-7-14-29/h4-5,8-12,19H,2-3,6-7,13-18,20H2,1H3,(H,27,31)