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

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-cyclopropylcarbonylpiperazin-1-yl)ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[4-(cyclopropanecarbonyl)piperazino]acetamide Formula: C23H34N4O5S MolecularWeight: 478.60486

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CN3CCN(CC3)C(=O)C4CC4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CN3CCN(CC3)C(=O)C4CC4

InChI

InChI=1S/C23H34N4O5S/c1-32-21-9-8-19(33(30,31)27-10-4-2-3-5-11-27)16-20(21)24-22(28)17-25-12-14-26(15-13-25)23(29)18-6-7-18/h8-9,16,18H,2-7,10-15,17H2,1H3,(H,24,28)