N-[3-[4-(phenylmethyl)sulfonylpiperazin-1-yl]carbonylphenyl]thiophene-2-carboxamide

Systemtic Name: N-[3-[4-(phenylmethyl)sulfonylpiperazin-1-yl]carbonylphenyl]thiophene-2-carboxamide Openeye Name: N-[3-(4-benzylsulfonylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide CAS Name: N-[3-[oxo-[4-(phenylmethyl)sulfonyl-1-piperazinyl]methyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-(4-benzylsulfonylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide Traditional Name: N-[3-(4-benzylsulfonylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide Formula: C23H23N3O4S2 MolecularWeight: 469.57642

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CS3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CS3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H23N3O4S2/c27-22(21-10-5-15-31-21)24-20-9-4-8-19(16-20)23(28)25-11-13-26(14-12-25)32(29,30)17-18-6-2-1-3-7-18/h1-10,15-16H,11-14,17H2,(H,24,27)