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

Systemtic Name: N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-4-piperidin-1-ylsulfonyl-benzamide Openeye Name: 4-(1-piperidylsulfonyl)-N-[(4S)-thiochroman-4-yl]benzamide CAS Name: N-[(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]-4-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-4-piperidin-1-ylsulfonylbenzamide Traditional Name: 4-piperidinosulfonyl-N-[(4S)-thiochroman-4-yl]benzamide Formula: C21H24N2O3S2 MolecularWeight: 416.55686

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3CCSC4=CC=CC=C34

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N[C@H]3CCSC4=CC=CC=C34

InChI

InChI=1S/C21H24N2O3S2/c24-21(22-19-12-15-27-20-7-3-2-6-18(19)20)16-8-10-17(11-9-16)28(25,26)23-13-4-1-5-14-23/h2-3,6-11,19H,1,4-5,12-15H2,(H,22,24)/t19-/m0/s1