[(2S)-1-[[2-[(2S)-butan-2-yl]phenyl]amino]-1-oxidanylidene-propan-2-yl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [(2S)-1-[[2-[(2S)-butan-2-yl]phenyl]amino]-1-oxidanylidene-propan-2-yl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [(1S)-1-methyl-2-[2-[(1S)-1-methylpropyl]anilino]-2-oxo-ethyl] 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid [(2S)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid [(1S)-2-keto-1-methyl-2-[2-[(1S)-1-methylpropyl]anilino]ethyl] ester Formula: C26H34N2O5S MolecularWeight: 486.62356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N2O5S/c1-5-18(2)22-11-7-8-12-23(22)27-25(29)20(4)33-26(30)21-14-13-19(3)24(17-21)34(31,32)28-15-9-6-10-16-28/h7-8,11-14,17-18,20H,5-6,9-10,15-16H2,1-4H3,(H,27,29)/t18-,20-/m0/s1