N-(3-pyrrolidin-1-ylsulfonylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: N-(3-pyrrolidin-1-ylsulfonylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: N-(3-pyrrolidin-1-ylsulfonylphenyl)-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: N-[3-(1-pyrrolidinylsulfonyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: N-(3-pyrrolidin-1-ylsulfonylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: N-(3-pyrrolidinosulfonylphenyl)-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C19H22N2O3S2 MolecularWeight: 390.51958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(S2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

C1CCC2=C(C1)C=C(S2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C19H22N2O3S2/c22-19(18-12-14-6-1-2-9-17(14)25-18)20-15-7-5-8-16(13-15)26(23,24)21-10-3-4-11-21/h5,7-8,12-13H,1-4,6,9-11H2,(H,20,22)