N-[(4S)-6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl]-1-(3,4-dimethylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(4S)-6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl]-1-(3,4-dimethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(4S)-6-chlorothiochroman-4-yl]-1-(3,4-dimethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[(4S)-6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl]-1-(3,4-dimethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[(4S)-6-chlorothiochroman-4-yl]-1-(3,4-dimethylphenyl)sulfonyl-isonipecotamide Formula: C23H27ClN2O3S2 MolecularWeight: 479.05508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3CCSC4=C3C=C(C=C4)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N[C@H]3CCSC4=C3C=C(C=C4)Cl)C

InChI

InChI=1S/C23H27ClN2O3S2/c1-15-3-5-19(13-16(15)2)31(28,29)26-10-7-17(8-11-26)23(27)25-21-9-12-30-22-6-4-18(24)14-20(21)22/h3-6,13-14,17,21H,7-12H2,1-2H3,(H,25,27)/t21-/m0/s1