N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-phenylpiperazin-1-yl)ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-phenylpiperazin-1-yl)ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-phenylpiperazin-1-yl)acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-(4-phenyl-1-piperazinyl)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(4-phenylpiperazin-1-yl)acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-phenylpiperazino)acetamide Formula: C25H34N4O4S MolecularWeight: 486.62686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CN3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CN3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H34N4O4S/c1-33-24-12-11-22(34(31,32)29-13-7-2-3-8-14-29)19-23(24)26-25(30)20-27-15-17-28(18-16-27)21-9-5-4-6-10-21/h4-6,9-12,19H,2-3,7-8,13-18,20H2,1H3,(H,26,30)