tert-butyl 3-bromanyl-2-[[[(2S)-1-methoxy-1-oxidanylidene-propan-2-yl]-(phenylsulfonyl)amino]methyl]indole-1-carboxylate

Systemtic Name: tert-butyl 3-bromanyl-2-[[[(2S)-1-methoxy-1-oxidanylidene-propan-2-yl]-(phenylsulfonyl)amino]methyl]indole-1-carboxylate Openeye Name: tert-butyl 2-[[benzenesulfonyl-[(1S)-2-methoxy-1-methyl-2-oxo-ethyl]amino]methyl]-3-bromo-indole-1-carboxylate CAS Name: 2-[[benzenesulfonyl-[(2S)-1-methoxy-1-oxopropan-2-yl]amino]methyl]-3-bromo-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[benzenesulfonyl-[(2S)-1-methoxy-1-oxopropan-2-yl]amino]methyl]-3-bromoindole-1-carboxylate Traditional Name: 2-[[besyl-[(1S)-2-keto-2-methoxy-1-methyl-ethyl]amino]methyl]-3-bromo-indole-1-carboxylic acid tert-butyl ester Formula: C24H27BrN2O6S MolecularWeight: 551.44998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)N(CC1=C(C2=CC=CC=C2N1C(=O)OC(C)(C)C)Br)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)OC)N(CC1=C(C2=CC=CC=C2N1C(=O)OC(C)(C)C)Br)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H27BrN2O6S/c1-16(22(28)32-5)26(34(30,31)17-11-7-6-8-12-17)15-20-21(25)18-13-9-10-14-19(18)27(20)23(29)33-24(2,3)4/h6-14,16H,15H2,1-5H3/t16-/m0/s1