phenyl 4-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylpiperazine-1-carboxylate

Systemtic Name: phenyl 4-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylpiperazine-1-carboxylate Openeye Name: phenyl 4-[2-methyl-5-(1-piperidylsulfonyl)benzoyl]piperazine-1-carboxylate CAS Name: 4-[[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-oxomethyl]-1-piperazinecarboxylic acid phenyl ester IUPAC Name: phenyl 4-(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)piperazine-1-carboxylate Traditional Name: 4-(2-methyl-5-piperidinosulfonyl-benzoyl)piperazine-1-carboxylic acid phenyl ester Formula: C24H29N3O5S MolecularWeight: 471.56916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)N3CCN(CC3)C(=O)OC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)N3CCN(CC3)C(=O)OC4=CC=CC=C4

InChI

InChI=1S/C24H29N3O5S/c1-19-10-11-21(33(30,31)27-12-6-3-7-13-27)18-22(19)23(28)25-14-16-26(17-15-25)24(29)32-20-8-4-2-5-9-20/h2,4-5,8-11,18H,3,6-7,12-17H2,1H3