[1-[2-[(3-chloranyl-1-methylsulfonyl-indol-6-yl)carbonyl-phenyl-amino]ethanoyl]piperidin-4-yl]methyl methanesulfonate

Systemtic Name: [1-[2-[(3-chloranyl-1-methylsulfonyl-indol-6-yl)carbonyl-phenyl-amino]ethanoyl]piperidin-4-yl]methyl methanesulfonate Openeye Name: [1-[2-(N-(3-chloro-1-methylsulfonyl-indole-6-carbonyl)anilino)acetyl]-4-piperidyl]methyl methanesulfonate CAS Name: methanesulfonic acid [1-[2-(N-[(3-chloro-1-methylsulfonyl-6-indolyl)-oxomethyl]anilino)-1-oxoethyl]-4-piperidinyl]methyl ester IUPAC Name: [1-[2-(N-(3-chloro-1-methylsulfonylindole-6-carbonyl)anilino)acetyl]piperidin-4-yl]methyl methanesulfonate Traditional Name: methanesulfonic acid [1-[2-(N-(3-chloro-1-mesyl-indole-6-carbonyl)anilino)acetyl]-4-piperidyl]methyl ester Formula: C25H28ClN3O7S2 MolecularWeight: 582.08872

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1C=C(C2=C1C=C(C=C2)C(=O)N(CC(=O)N3CCC(CC3)COS(=O)(=O)C)C4=CC=CC=C4)Cl

Isomeric SMILES

CS(=O)(=O)N1C=C(C2=C1C=C(C=C2)C(=O)N(CC(=O)N3CCC(CC3)COS(=O)(=O)C)C4=CC=CC=C4)Cl

InChI

InChI=1S/C25H28ClN3O7S2/c1-37(32,33)29-15-22(26)21-9-8-19(14-23(21)29)25(31)28(20-6-4-3-5-7-20)16-24(30)27-12-10-18(11-13-27)17-36-38(2,34)35/h3-9,14-15,18H,10-13,16-17H2,1-2H3