1-(3-methoxyphenyl)carbonyl-N-(phenylmethyl)-4-[2-(phenylsulfonyl)ethyl]piperazine-2-carboxamide

Systemtic Name: 1-(3-methoxyphenyl)carbonyl-N-(phenylmethyl)-4-[2-(phenylsulfonyl)ethyl]piperazine-2-carboxamide Openeye Name: 4-[2-(benzenesulfonyl)ethyl]-N-benzyl-1-(3-methoxybenzoyl)piperazine-2-carboxamide CAS Name: 4-[2-(benzenesulfonyl)ethyl]-1-[(3-methoxyphenyl)-oxomethyl]-N-(phenylmethyl)-2-piperazinecarboxamide IUPAC Name: 4-[2-(benzenesulfonyl)ethyl]-N-benzyl-1-(3-methoxybenzoyl)piperazine-2-carboxamide Traditional Name: N-benzyl-4-(2-besylethyl)-1-m-anisoyl-piperazine-2-carboxamide Formula: C28H31N3O5S MolecularWeight: 521.62784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCN(CC2C(=O)NCC3=CC=CC=C3)CCS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCN(CC2C(=O)NCC3=CC=CC=C3)CCS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H31N3O5S/c1-36-24-12-8-11-23(19-24)28(33)31-16-15-30(17-18-37(34,35)25-13-6-3-7-14-25)21-26(31)27(32)29-20-22-9-4-2-5-10-22/h2-14,19,26H,15-18,20-21H2,1H3,(H,29,32)