ethyl 3-phenyl-2-[[4-[2-[2-(phenylsulfonyl)ethylsulfanyl]ethanoylamino]piperidin-4-yl]carbonylamino]propanoate

Systemtic Name: ethyl 3-phenyl-2-[[4-[2-[2-(phenylsulfonyl)ethylsulfanyl]ethanoylamino]piperidin-4-yl]carbonylamino]propanoate Openeye Name: ethyl 2-[[4-[[2-[2-(benzenesulfonyl)ethylsulfanyl]acetyl]amino]piperidine-4-carbonyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[4-[[2-[2-(benzenesulfonyl)ethylthio]-1-oxoethyl]amino]-4-piperidinyl]-oxomethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-[[2-[2-(benzenesulfonyl)ethylsulfanyl]acetyl]amino]piperidine-4-carbonyl]amino]-3-phenylpropanoate Traditional Name: 2-[[4-[[2-(2-besylethylthio)acetyl]amino]isonipecotoyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C27H35N3O6S2 MolecularWeight: 561.7133

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2(CCNCC2)NC(=O)CSCCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2(CCNCC2)NC(=O)CSCCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H35N3O6S2/c1-2-36-25(32)23(19-21-9-5-3-6-10-21)29-26(33)27(13-15-28-16-14-27)30-24(31)20-37-17-18-38(34,35)22-11-7-4-8-12-22/h3-12,23,28H,2,13-20H2,1H3,(H,29,33)(H,30,31)