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

Systemtic Name: N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 3-pyrrolidin-1-ylsulfonyl-N-[(4S)-thiochroman-4-yl]benzamide CAS Name: N-[(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 3-pyrrolidinosulfonyl-N-[(4S)-thiochroman-4-yl]benzamide Formula: C20H22N2O3S2 MolecularWeight: 402.53028

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3CCSC4=CC=CC=C34

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N[C@H]3CCSC4=CC=CC=C34

InChI

InChI=1S/C20H22N2O3S2/c23-20(21-18-10-13-26-19-9-2-1-8-17(18)19)15-6-5-7-16(14-15)27(24,25)22-11-3-4-12-22/h1-2,5-9,14,18H,3-4,10-13H2,(H,21,23)/t18-/m0/s1