methyl 1-[2-[(1-methylsulfonylpiperidin-4-yl)amino]-2-oxidanylidene-ethyl]indole-3-carboxylate

Systemtic Name: methyl 1-[2-[(1-methylsulfonylpiperidin-4-yl)amino]-2-oxidanylidene-ethyl]indole-3-carboxylate Openeye Name: methyl 1-[2-[(1-methylsulfonyl-4-piperidyl)amino]-2-oxo-ethyl]indole-3-carboxylate CAS Name: 1-[2-[(1-methylsulfonyl-4-piperidinyl)amino]-2-oxoethyl]-3-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(1-methylsulfonylpiperidin-4-yl)amino]-2-oxoethyl]indole-3-carboxylate Traditional Name: 1-[2-keto-2-[(1-mesyl-4-piperidyl)amino]ethyl]indole-3-carboxylic acid methyl ester Formula: C18H23N3O5S MolecularWeight: 393.45732

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)NC3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)NC3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C18H23N3O5S/c1-26-18(23)15-11-20(16-6-4-3-5-14(15)16)12-17(22)19-13-7-9-21(10-8-13)27(2,24)25/h3-6,11,13H,7-10,12H2,1-2H3,(H,19,22)