(2R,3S)-2-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]carbonylamino]-3-methyl-pentanoate

Systemtic Name: (2R,3S)-2-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]carbonylamino]-3-methyl-pentanoate Openeye Name: (2R,3S)-2-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-methyl-pentanoate CAS Name: (2R,3S)-2-[[[1-(3,4-dimethoxyphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-3-methylpentanoate IUPAC Name: (2R,3S)-2-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-methylpentanoate Traditional Name: (2R,3S)-2-[[1-(3,4-dimethoxyphenyl)sulfonylisonipecotoyl]amino]-3-methyl-valerate Formula: C20H29N2O7S- MolecularWeight: 441.51846

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC[C@H](C)[C@H](C(=O)[O-])NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C20H30N2O7S/c1-5-13(2)18(20(24)25)21-19(23)14-8-10-22(11-9-14)30(26,27)15-6-7-16(28-3)17(12-15)29-4/h6-7,12-14,18H,5,8-11H2,1-4H3,(H,21,23)(H,24,25)/p-1/t13-,18+/m0/s1