4-[(3R,4S)-1-[2-(1H-indol-3-yl)ethyl]-3-(4-methylphenyl)sulfonyl-2,6-bis(oxidanylidene)piperidin-4-yl]butyl methanesulfonate

Systemtic Name: 4-[(3R,4S)-1-[2-(1H-indol-3-yl)ethyl]-3-(4-methylphenyl)sulfonyl-2,6-bis(oxidanylidene)piperidin-4-yl]butyl methanesulfonate Openeye Name: 4-[(3R,4S)-1-[2-(1H-indol-3-yl)ethyl]-2,6-dioxo-3-(p-tolylsulfonyl)-4-piperidyl]butyl methanesulfonate CAS Name: methanesulfonic acid 4-[(3R,4S)-1-[2-(1H-indol-3-yl)ethyl]-3-(4-methylphenyl)sulfonyl-2,6-dioxo-4-piperidinyl]butyl ester IUPAC Name: 4-[(3R,4S)-1-[2-(1H-indol-3-yl)ethyl]-3-(4-methylphenyl)sulfonyl-2,6-dioxopiperidin-4-yl]butyl methanesulfonate Traditional Name: methanesulfonic acid 4-[(3R,4S)-1-[2-(1H-indol-3-yl)ethyl]-2,6-diketo-3-tosyl-4-piperidyl]butyl ester Formula: C27H32N2O7S2 MolecularWeight: 560.68218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2C(CC(=O)N(C2=O)CCC3=CNC4=CC=CC=C43)CCCCOS(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[C@@H]2[C@H](CC(=O)N(C2=O)CCC3=CNC4=CC=CC=C43)CCCCOS(=O)(=O)C

InChI

InChI=1S/C27H32N2O7S2/c1-19-10-12-22(13-11-19)38(34,35)26-20(7-5-6-16-36-37(2,32)33)17-25(30)29(27(26)31)15-14-21-18-28-24-9-4-3-8-23(21)24/h3-4,8-13,18,20,26,28H,5-7,14-17H2,1-2H3/t20-,26+/m0/s1