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

Systemtic Name: (5S)-5-methyl-N-(3-piperidin-1-ylsulfonylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: (5S)-5-methyl-N-[3-(1-piperidylsulfonyl)phenyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: (5S)-5-methyl-N-[3-(1-piperidinylsulfonyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: (5S)-5-methyl-N-(3-piperidin-1-ylsulfonylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: (5S)-5-methyl-N-(3-piperidinosulfonylphenyl)-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

C[C@H]1CCC2=C(C1)C=C(S2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C21H26N2O3S2/c1-15-8-9-19-16(12-15)13-20(27-19)21(24)22-17-6-5-7-18(14-17)28(25,26)23-10-3-2-4-11-23/h5-7,13-15H,2-4,8-12H2,1H3,(H,22,24)/t15-/m0/s1