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

Systemtic Name: (5S)-5-methyl-2-[(4-piperidin-1-ylsulfonylphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: (5S)-5-methyl-2-[[4-(1-piperidylsulfonyl)benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: (5S)-5-methyl-2-[[oxo-[4-(1-piperidinylsulfonyl)phenyl]methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: (5S)-5-methyl-2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: (5S)-5-methyl-2-[(4-piperidinosulfonylbenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H27N3O4S2 MolecularWeight: 461.59748

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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)N4CCCCC4)C(=O)N

Isomeric SMILES

C[C@H]1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)C(=O)N

InChI

InChI=1S/C22H27N3O4S2/c1-14-5-10-18-17(13-14)19(20(23)26)22(30-18)24-21(27)15-6-8-16(9-7-15)31(28,29)25-11-3-2-4-12-25/h6-9,14H,2-5,10-13H2,1H3,(H2,23,26)(H,24,27)/t14-/m0/s1