N-[(3,4-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-piperazine-1-carboxamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-piperazine-1-carboxamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-piperazine-1-carboxamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide Traditional Name: 4-(4-methoxyphenyl)sulfonyl-N-veratryl-piperazine-1-carboxamide Formula: C21H27N3O6S MolecularWeight: 449.52058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H27N3O6S/c1-28-17-5-7-18(8-6-17)31(26,27)24-12-10-23(11-13-24)21(25)22-15-16-4-9-19(29-2)20(14-16)30-3/h4-9,14H,10-13,15H2,1-3H3,(H,22,25)