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

Systemtic Name: N-[(2-chlorophenyl)methyl]-4-(3,4-dimethoxyphenyl)sulfonyl-piperazine-1-carboxamide Openeye Name: N-[(2-chlorophenyl)methyl]-4-(3,4-dimethoxyphenyl)sulfonyl-piperazine-1-carboxamide CAS Name: N-[(2-chlorophenyl)methyl]-4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: N-[(2-chlorophenyl)methyl]-4-(3,4-dimethoxyphenyl)sulfonylpiperazine-1-carboxamide Traditional Name: N-(2-chlorobenzyl)-4-(3,4-dimethoxyphenyl)sulfonyl-piperazine-1-carboxamide Formula: C20H24ClN3O5S MolecularWeight: 453.93966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCC3=CC=CC=C3Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCC3=CC=CC=C3Cl)OC

InChI

InChI=1S/C20H24ClN3O5S/c1-28-18-8-7-16(13-19(18)29-2)30(26,27)24-11-9-23(10-12-24)20(25)22-14-15-5-3-4-6-17(15)21/h3-8,13H,9-12,14H2,1-2H3,(H,22,25)