(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-[4-(phenylmethyl)piperazin-1-yl]methanone

Systemtic Name: (2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-[2-methoxy-5-(1-piperidylsulfonyl)phenyl]methanone CAS Name: [2-methoxy-5-(1-piperidinylsulfonyl)phenyl]-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)methanone Traditional Name: (4-benzylpiperazino)-(2-methoxy-5-piperidinosulfonyl-phenyl)methanone Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H31N3O4S/c1-31-23-11-10-21(32(29,30)27-12-6-3-7-13-27)18-22(23)24(28)26-16-14-25(15-17-26)19-20-8-4-2-5-9-20/h2,4-5,8-11,18H,3,6-7,12-17,19H2,1H3