4-chloranyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[(3R)-2-oxidanylideneazepan-3-yl]benzenesulfonamide

Systemtic Name: 4-chloranyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[(3R)-2-oxidanylideneazepan-3-yl]benzenesulfonamide Openeye Name: 4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide CAS Name: 4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[(3R)-2-oxo-3-azepanyl]benzenesulfonamide IUPAC Name: 4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide Traditional Name: 4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[(3R)-2-ketoazepan-3-yl]benzenesulfonamide Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)N(CC2=CC3=C(C=C2)OCCO3)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCNC(=O)[C@@H](C1)N(CC2=CC3=C(C=C2)OCCO3)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H23ClN2O5S/c22-16-5-7-17(8-6-16)30(26,27)24(18-3-1-2-10-23-21(18)25)14-15-4-9-19-20(13-15)29-12-11-28-19/h4-9,13,18H,1-3,10-12,14H2,(H,23,25)/t18-/m1/s1