4-chloranyl-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: 4-chloranyl-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: 4-chloro-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(1-piperidylsulfonyl)benzamide CAS Name: 4-chloro-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: 4-chloro-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-piperidin-1-ylsulfonylbenzamide Traditional Name: 4-chloro-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-piperidinosulfonyl-benzamide Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC3COC4=CC=CC=C4O3)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC[C@@H]3COC4=CC=CC=C4O3)Cl

InChI

InChI=1S/C21H23ClN2O5S/c22-17-9-8-15(12-20(17)30(26,27)24-10-4-1-5-11-24)21(25)23-13-16-14-28-18-6-2-3-7-19(18)29-16/h2-3,6-9,12,16H,1,4-5,10-11,13-14H2,(H,23,25)/t16-/m1/s1