(2R,3S,4R)-1-methyl-3-[3-(1-methylindol-2-yl)-3-oxidanylidene-propyl]-4-(phenylsulfonyl)piperidine-2-carbonitrile

Systemtic Name: (2R,3S,4R)-1-methyl-3-[3-(1-methylindol-2-yl)-3-oxidanylidene-propyl]-4-(phenylsulfonyl)piperidine-2-carbonitrile Openeye Name: (2R,3S,4R)-4-(benzenesulfonyl)-1-methyl-3-[3-(1-methylindol-2-yl)-3-oxo-propyl]piperidine-2-carbonitrile CAS Name: (2R,3S,4R)-4-(benzenesulfonyl)-1-methyl-3-[3-(1-methyl-2-indolyl)-3-oxopropyl]-2-piperidinecarbonitrile IUPAC Name: (2R,3S,4R)-4-(benzenesulfonyl)-1-methyl-3-[3-(1-methylindol-2-yl)-3-oxopropyl]piperidine-2-carbonitrile Traditional Name: (2R,3S,4R)-4-besyl-3-[3-keto-3-(1-methylindol-2-yl)propyl]-1-methyl-pipecolinonitrile Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C(C1C#N)CCC(=O)C2=CC3=CC=CC=C3N2C)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CN1CC[C@H]([C@H]([C@@H]1C#N)CCC(=O)C2=CC3=CC=CC=C3N2C)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O3S/c1-27-15-14-25(32(30,31)19-9-4-3-5-10-19)20(23(27)17-26)12-13-24(29)22-16-18-8-6-7-11-21(18)28(22)2/h3-11,16,20,23,25H,12-15H2,1-2H3/t20-,23-,25+/m0/s1