N-cyclopropyl-2-methoxy-5-[4-(phenylmethyl)sulfonylpiperazin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-cyclopropyl-2-methoxy-5-[4-(phenylmethyl)sulfonylpiperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: 5-(4-benzylsulfonylpiperazine-1-carbonyl)-N-cyclopropyl-2-methoxy-benzenesulfonamide CAS Name: N-cyclopropyl-2-methoxy-5-[oxo-[4-(phenylmethyl)sulfonyl-1-piperazinyl]methyl]benzenesulfonamide IUPAC Name: 5-(4-benzylsulfonylpiperazine-1-carbonyl)-N-cyclopropyl-2-methoxybenzenesulfonamide Traditional Name: 5-(4-benzylsulfonylpiperazine-1-carbonyl)-N-cyclopropyl-2-methoxy-benzenesulfonamide Formula: C22H27N3O6S2 MolecularWeight: 493.59628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)S(=O)(=O)NC4CC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)S(=O)(=O)NC4CC4

InChI

InChI=1S/C22H27N3O6S2/c1-31-20-10-7-18(15-21(20)33(29,30)23-19-8-9-19)22(26)24-11-13-25(14-12-24)32(27,28)16-17-5-3-2-4-6-17/h2-7,10,15,19,23H,8-9,11-14,16H2,1H3