N-[1-(4-cyclopropylcarbonyl-3-methyl-piperazin-1-yl)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-3-(trifluoromethyl)benzenesulfonamide

Systemtic Name: N-[1-(4-cyclopropylcarbonyl-3-methyl-piperazin-1-yl)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-3-(trifluoromethyl)benzenesulfonamide Openeye Name: N-[2-[4-(cyclopropanecarbonyl)-3-methyl-piperazin-1-yl]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-3-(trifluoromethyl)benzenesulfonamide CAS Name: N-[1-[4-[cyclopropyl(oxo)methyl]-3-methyl-1-piperazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-[1-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-(trifluoromethyl)benzenesulfonamide Traditional Name: N-[2-[4-(cyclopropanecarbonyl)-3-methyl-piperazino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]-3-(trifluoromethyl)benzenesulfonamide Formula: C27H29F3N4O4S MolecularWeight: 562.60377

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2CC2)C(=O)C(CC3=CNC4=CC=CC=C43)NS(=O)(=O)C5=CC=CC(=C5)C(F)(F)F

Isomeric SMILES

CC1CN(CCN1C(=O)C2CC2)C(=O)C(CC3=CNC4=CC=CC=C43)NS(=O)(=O)C5=CC=CC(=C5)C(F)(F)F

InChI

InChI=1S/C27H29F3N4O4S/c1-17-16-33(11-12-34(17)25(35)18-9-10-18)26(36)24(13-19-15-31-23-8-3-2-7-22(19)23)32-39(37,38)21-6-4-5-20(14-21)27(28,29)30/h2-8,14-15,17-18,24,31-32H,9-13,16H2,1H3