(2S)-N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-2-[(4-methylphenyl)sulfonylamino]propanamide

Systemtic Name: (2S)-N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-2-[(4-methylphenyl)sulfonylamino]propanamide Openeye Name: (2S)-N-(6-chlorothiochroman-4-yl)-2-(p-tolylsulfonylamino)propanamide CAS Name: (2S)-N-(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-2-[(4-methylphenyl)sulfonylamino]propanamide IUPAC Name: (2S)-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2-[(4-methylphenyl)sulfonylamino]propanamide Traditional Name: (2S)-N-(6-chlorothiochroman-4-yl)-2-(tosylamino)propionamide Formula: C19H21ClN2O3S2 MolecularWeight: 424.96464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)NC2CCSC3=C2C=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C)C(=O)NC2CCSC3=C2C=C(C=C3)Cl

InChI

InChI=1S/C19H21ClN2O3S2/c1-12-3-6-15(7-4-12)27(24,25)22-13(2)19(23)21-17-9-10-26-18-8-5-14(20)11-16(17)18/h3-8,11,13,17,22H,9-10H2,1-2H3,(H,21,23)/t13-,17?/m0/s1