N-(4-pyrrolidin-1-ylsulfonylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-(4-pyrrolidin-1-ylsulfonylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-(4-pyrrolidin-1-ylsulfonylphenyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-[4-(1-pyrrolidinylsulfonyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-(4-pyrrolidin-1-ylsulfonylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-(4-pyrrolidinosulfonylphenyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C19H22N2O3S2 MolecularWeight: 390.51958

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=CS2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

C1CCC2=C(C1)C(=CS2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C19H22N2O3S2/c22-19(17-13-25-18-6-2-1-5-16(17)18)20-14-7-9-15(10-8-14)26(23,24)21-11-3-4-12-21/h7-10,13H,1-6,11-12H2,(H,20,22)