N-[(3,4-dimethoxyphenyl)methyl]-4-(5-methylthiophen-2-yl)sulfonyl-piperazine-1-carboxamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-4-(5-methylthiophen-2-yl)sulfonyl-piperazine-1-carboxamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-4-[(5-methyl-2-thienyl)sulfonyl]piperazine-1-carboxamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-4-[(5-methyl-2-thiophenyl)sulfonyl]-1-piperazinecarboxamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carboxamide Traditional Name: 4-[(5-methyl-2-thienyl)sulfonyl]-N-veratryl-piperazine-1-carboxamide Formula: C19H25N3O5S2 MolecularWeight: 439.5489

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)S(=O)(=O)N2CCN(CC2)C(=O)NCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)N2CCN(CC2)C(=O)NCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C19H25N3O5S2/c1-14-4-7-18(28-14)29(24,25)22-10-8-21(9-11-22)19(23)20-13-15-5-6-16(26-2)17(12-15)27-3/h4-7,12H,8-11,13H2,1-3H3,(H,20,23)