N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(4-methoxyphenyl)sulfonyl-propanamide

Systemtic Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(4-methoxyphenyl)sulfonyl-propanamide Openeye Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-(4-methoxyphenyl)sulfonyl-propanamide CAS Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(4-methoxyphenyl)sulfonylpropanamide IUPAC Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(4-methoxyphenyl)sulfonylpropanamide Traditional Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-(4-methoxyphenyl)sulfonyl-propionamide Formula: C20H22N2O4S2 MolecularWeight: 418.52968

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CCS(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)CCS(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H22N2O4S2/c1-13-3-8-16-17(12-21)20(27-18(16)11-13)22-19(23)9-10-28(24,25)15-6-4-14(26-2)5-7-15/h4-7,13H,3,8-11H2,1-2H3,(H,22,23)/t13-/m0/s1