N-(2-methyl-6-propan-2-yl-phenyl)-1,4-bis(phenylsulfonyl)piperazine-2-carboxamide

Systemtic Name: N-(2-methyl-6-propan-2-yl-phenyl)-1,4-bis(phenylsulfonyl)piperazine-2-carboxamide Openeye Name: 1,4-bis(benzenesulfonyl)-N-(2-isopropyl-6-methyl-phenyl)piperazine-2-carboxamide CAS Name: 1,4-bis(benzenesulfonyl)-N-(2-methyl-6-propan-2-ylphenyl)-2-piperazinecarboxamide IUPAC Name: 1,4-bis(benzenesulfonyl)-N-(2-methyl-6-propan-2-ylphenyl)piperazine-2-carboxamide Traditional Name: 1,4-dibesyl-N-(2-isopropyl-6-methyl-phenyl)piperazine-2-carboxamide Formula: C27H31N3O5S2 MolecularWeight: 541.68214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)C2CN(CCN2S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)C2CN(CCN2S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H31N3O5S2/c1-20(2)24-16-10-11-21(3)26(24)28-27(31)25-19-29(36(32,33)22-12-6-4-7-13-22)17-18-30(25)37(34,35)23-14-8-5-9-15-23/h4-16,20,25H,17-19H2,1-3H3,(H,28,31)