2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[3-[(2-chlorophenyl)sulfamoyl]-4-piperidin-1-yl-phenyl]benzamide

Systemtic Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[3-[(2-chlorophenyl)sulfamoyl]-4-piperidin-1-yl-phenyl]benzamide Openeye Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanyl-N-[3-[(2-chlorophenyl)sulfamoyl]-4-(1-piperidyl)phenyl]benzamide CAS Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-N-[3-[(2-chlorophenyl)sulfamoyl]-4-(1-piperidinyl)phenyl]benzamide IUPAC Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-N-[3-[(2-chlorophenyl)sulfamoyl]-4-piperidin-1-ylphenyl]benzamide Traditional Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]-N-[3-[(2-chlorophenyl)sulfamoyl]-4-piperidino-phenyl]benzamide Formula: C33H31ClN4O6S2 MolecularWeight: 679.20544

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3SCC(=O)NC4=CC5=C(C=C4)OCO5)S(=O)(=O)NC6=CC=CC=C6Cl

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3SCC(=O)NC4=CC5=C(C=C4)OCO5)S(=O)(=O)NC6=CC=CC=C6Cl

InChI

InChI=1S/C33H31ClN4O6S2/c34-25-9-3-4-10-26(25)37-46(41,42)31-19-23(12-14-27(31)38-16-6-1-7-17-38)36-33(40)24-8-2-5-11-30(24)45-20-32(39)35-22-13-15-28-29(18-22)44-21-43-28/h2-5,8-15,18-19,37H,1,6-7,16-17,20-21H2,(H,35,39)(H,36,40)