(6S)-6-methyl-2-[2-(phenylmethyl)sulfonylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: (6S)-6-methyl-2-[2-(phenylmethyl)sulfonylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: (6S)-2-[(2-benzylsulfonylacetyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: (6S)-6-methyl-2-[[1-oxo-2-(phenylmethyl)sulfonylethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: (6S)-2-[(2-benzylsulfonylacetyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: (6S)-2-[(2-benzylsulfonylacetyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C19H22N2O4S2 MolecularWeight: 406.51898

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H22N2O4S2/c1-12-7-8-14-15(9-12)26-19(17(14)18(20)23)21-16(22)11-27(24,25)10-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H2,20,23)(H,21,22)/t12-/m0/s1