N-butyl-3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-thiophene-2-carboxamide

Systemtic Name: N-butyl-3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-thiophene-2-carboxamide Openeye Name: N-butyl-3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-thiophene-2-carboxamide CAS Name: N-butyl-3-[[4-(2,5-dimethylphenyl)-1-piperazinyl]sulfonyl]-2-thiophenecarboxamide IUPAC Name: N-butyl-3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide Traditional Name: N-butyl-3-[4-(2,5-dimethylphenyl)piperazino]sulfonyl-thiophene-2-carboxamide Formula: C21H29N3O3S2 MolecularWeight: 435.60326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C(C=CS1)S(=O)(=O)N2CCN(CC2)C3=C(C=CC(=C3)C)C

Isomeric SMILES

CCCCNC(=O)C1=C(C=CS1)S(=O)(=O)N2CCN(CC2)C3=C(C=CC(=C3)C)C

InChI

InChI=1S/C21H29N3O3S2/c1-4-5-9-22-21(25)20-19(8-14-28-20)29(26,27)24-12-10-23(11-13-24)18-15-16(2)6-7-17(18)3/h6-8,14-15H,4-5,9-13H2,1-3H3,(H,22,25)