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

Systemtic Name: 2-[(3-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[oxo-[3-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[(3-pyrrolidinosulfonylbenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C20H23N3O4S2 MolecularWeight: 433.54432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O4S2/c21-18(24)17-15-8-1-2-9-16(15)28-20(17)22-19(25)13-6-5-7-14(12-13)29(26,27)23-10-3-4-11-23/h5-7,12H,1-4,8-11H2,(H2,21,24)(H,22,25)