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

Systemtic Name: (5S)-5-methyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: (5S)-5-methyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: (5S)-5-methyl-2-[[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: (5S)-5-methyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: (5S)-5-methyl-2-[(4-pyrrolidinosulfonylbenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C(=O)N

Isomeric SMILES

C[C@H]1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C(=O)N

InChI

InChI=1S/C21H25N3O4S2/c1-13-4-9-17-16(12-13)18(19(22)25)21(29-17)23-20(26)14-5-7-15(8-6-14)30(27,28)24-10-2-3-11-24/h5-8,13H,2-4,9-12H2,1H3,(H2,22,25)(H,23,26)/t13-/m0/s1