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

Systemtic Name: N,5-dimethyl-4-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-thiophene-2-carboxamide Openeye Name: 4-(4-benzylpiperazin-1-yl)sulfonyl-N,5-dimethyl-thiophene-2-carboxamide CAS Name: N,5-dimethyl-4-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]-2-thiophenecarboxamide IUPAC Name: 4-(4-benzylpiperazin-1-yl)sulfonyl-N,5-dimethylthiophene-2-carboxamide Traditional Name: 4-(4-benzylpiperazino)sulfonyl-N,5-dimethyl-thiophene-2-carboxamide Formula: C18H23N3O3S2 MolecularWeight: 393.52352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(S1)C(=O)NC)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(S1)C(=O)NC)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C18H23N3O3S2/c1-14-17(12-16(25-14)18(22)19-2)26(23,24)21-10-8-20(9-11-21)13-15-6-4-3-5-7-15/h3-7,12H,8-11,13H2,1-2H3,(H,19,22)