[2-[[2-[(2S)-butan-2-yl]phenyl]amino]-2-oxidanylidene-ethyl] 2-methyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-[[2-[(2S)-butan-2-yl]phenyl]amino]-2-oxidanylidene-ethyl] 2-methyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-[2-[(1S)-1-methylpropyl]anilino]-2-oxo-ethyl] 2-methyl-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-methyl-5-(1-piperidinylsulfonyl)benzoic acid [2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-piperidinosulfonyl-benzoic acid [2-keto-2-[2-[(1S)-1-methylpropyl]anilino]ethyl] ester Formula: C25H32N2O5S MolecularWeight: 472.59698

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)C

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)C

InChI

InChI=1S/C25H32N2O5S/c1-4-18(2)21-10-6-7-11-23(21)26-24(28)17-32-25(29)22-16-20(13-12-19(22)3)33(30,31)27-14-8-5-9-15-27/h6-7,10-13,16,18H,4-5,8-9,14-15,17H2,1-3H3,(H,26,28)/t18-/m0/s1