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

Systemtic Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(4-methylphenyl)sulfonyl-propanamide Openeye Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-(p-tolylsulfonyl)propanamide CAS Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(4-methylphenyl)sulfonylpropanamide IUPAC Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(4-methylphenyl)sulfonylpropanamide Traditional Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-tosyl-propionamide Formula: C20H22N2O3S2 MolecularWeight: 402.53028

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O3S2/c1-13-3-6-15(7-4-13)27(24,25)10-9-19(23)22-20-17(12-21)16-8-5-14(2)11-18(16)26-20/h3-4,6-7,14H,5,8-11H2,1-2H3,(H,22,23)/t14-/m0/s1