2-methoxy-N-phenethyl-5-[4-(phenylmethyl)piperazin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: 2-methoxy-N-phenethyl-5-[4-(phenylmethyl)piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: 5-(4-benzylpiperazine-1-carbonyl)-2-methoxy-N-phenethyl-benzenesulfonamide CAS Name: 2-methoxy-5-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-N-phenethylbenzenesulfonamide IUPAC Name: 5-(4-benzylpiperazine-1-carbonyl)-2-methoxy-N-phenethylbenzenesulfonamide Traditional Name: 5-(4-benzylpiperazine-1-carbonyl)-2-methoxy-N-phenethyl-benzenesulfonamide Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=CC=C3)S(=O)(=O)NCCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=CC=C3)S(=O)(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C27H31N3O4S/c1-34-25-13-12-24(20-26(25)35(32,33)28-15-14-22-8-4-2-5-9-22)27(31)30-18-16-29(17-19-30)21-23-10-6-3-7-11-23/h2-13,20,28H,14-19,21H2,1H3