N-[(4S)-6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[(4S)-6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[(4S)-6-chlorothiochroman-4-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[(4S)-6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[(4S)-6-chlorothiochroman-4-yl]-3-pyrrolidinosulfonyl-benzamide Formula: C20H21ClN2O3S2 MolecularWeight: 436.97534

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3CCSC4=C3C=C(C=C4)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N[C@H]3CCSC4=C3C=C(C=C4)Cl

InChI

InChI=1S/C20H21ClN2O3S2/c21-15-6-7-19-17(13-15)18(8-11-27-19)22-20(24)14-4-3-5-16(12-14)28(25,26)23-9-1-2-10-23/h3-7,12-13,18H,1-2,8-11H2,(H,22,24)/t18-/m0/s1