N-[2-(4-chlorophenyl)ethyl]-4-(3,4-dimethoxyphenyl)sulfonyl-piperazine-1-carboxamide

Systemtic Name: N-[2-(4-chlorophenyl)ethyl]-4-(3,4-dimethoxyphenyl)sulfonyl-piperazine-1-carboxamide Openeye Name: N-[2-(4-chlorophenyl)ethyl]-4-(3,4-dimethoxyphenyl)sulfonyl-piperazine-1-carboxamide CAS Name: N-[2-(4-chlorophenyl)ethyl]-4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: N-[2-(4-chlorophenyl)ethyl]-4-(3,4-dimethoxyphenyl)sulfonylpiperazine-1-carboxamide Traditional Name: N-[2-(4-chlorophenyl)ethyl]-4-(3,4-dimethoxyphenyl)sulfonyl-piperazine-1-carboxamide Formula: C21H26ClN3O5S MolecularWeight: 467.96624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCCC3=CC=C(C=C3)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCCC3=CC=C(C=C3)Cl)OC

InChI

InChI=1S/C21H26ClN3O5S/c1-29-19-8-7-18(15-20(19)30-2)31(27,28)25-13-11-24(12-14-25)21(26)23-10-9-16-3-5-17(22)6-4-16/h3-8,15H,9-14H2,1-2H3,(H,23,26)