N-ethyl-5-methyl-4-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-thiophene-2-carboxamide

Systemtic Name: N-ethyl-5-methyl-4-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-thiophene-2-carboxamide Openeye Name: 4-(4-benzylpiperazin-1-yl)sulfonyl-N-ethyl-5-methyl-thiophene-2-carboxamide CAS Name: N-ethyl-5-methyl-4-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]-2-thiophenecarboxamide IUPAC Name: 4-(4-benzylpiperazin-1-yl)sulfonyl-N-ethyl-5-methylthiophene-2-carboxamide Traditional Name: 4-(4-benzylpiperazino)sulfonyl-N-ethyl-5-methyl-thiophene-2-carboxamide Formula: C19H25N3O3S2 MolecularWeight: 407.5501

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC(=C(S1)C)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCNC(=O)C1=CC(=C(S1)C)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H25N3O3S2/c1-3-20-19(23)17-13-18(15(2)26-17)27(24,25)22-11-9-21(10-12-22)14-16-7-5-4-6-8-16/h4-8,13H,3,9-12,14H2,1-2H3,(H,20,23)