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

Systemtic Name: (2S,3S)-2-[[1-(4-bromophenyl)sulfonylpiperidin-4-yl]carbonylamino]-3-methyl-pentanoate Openeye Name: (2S,3S)-2-[[1-(4-bromophenyl)sulfonylpiperidine-4-carbonyl]amino]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[[[1-(4-bromophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-3-methylpentanoate IUPAC Name: (2S,3S)-2-[[1-(4-bromophenyl)sulfonylpiperidine-4-carbonyl]amino]-3-methylpentanoate Traditional Name: (2S,3S)-2-[(1-brosylisonipecotoyl)amino]-3-methyl-valerate Formula: C18H24BrN2O5S- MolecularWeight: 460.36256

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C18H25BrN2O5S/c1-3-12(2)16(18(23)24)20-17(22)13-8-10-21(11-9-13)27(25,26)15-6-4-14(19)5-7-15/h4-7,12-13,16H,3,8-11H2,1-2H3,(H,20,22)(H,23,24)/p-1/t12-,16-/m0/s1