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

Systemtic Name: N-[(4S)-6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[(4S)-6-chlorothiochroman-4-yl]-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-[(4S)-6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl]-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[(4S)-6-chlorothiochroman-4-yl]-1-(2-thienylsulfonyl)isonipecotamide Formula: C19H21ClN2O3S3 MolecularWeight: 457.02964

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2CCSC3=C2C=C(C=C3)Cl)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CSC2=C([C@H]1NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4)C=C(C=C2)Cl

InChI

InChI=1S/C19H21ClN2O3S3/c20-14-3-4-17-15(12-14)16(7-11-26-17)21-19(23)13-5-8-22(9-6-13)28(24,25)18-2-1-10-27-18/h1-4,10,12-13,16H,5-9,11H2,(H,21,23)/t16-/m0/s1