N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[4-(phenylmethyl)piperazin-1-yl]ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[4-(phenylmethyl)piperazin-1-yl]ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(4-benzylpiperazin-1-yl)acetamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-[4-(phenylmethyl)-1-piperazinyl]acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(4-benzylpiperazin-1-yl)acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(4-benzylpiperazino)acetamide Formula: C25H34N4O3S MolecularWeight: 470.62746

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H34N4O3S/c30-25(21-28-17-15-27(16-18-28)20-22-9-4-3-5-10-22)26-23-11-8-12-24(19-23)33(31,32)29-13-6-1-2-7-14-29/h3-5,8-12,19H,1-2,6-7,13-18,20-21H2,(H,26,30)