tert-butyl 3-[(S)-(2-ethenylphenyl)-[(phenylmethyl)sulfonylamino]methyl]indole-1-carboxylate

Systemtic Name: tert-butyl 3-[(S)-(2-ethenylphenyl)-[(phenylmethyl)sulfonylamino]methyl]indole-1-carboxylate Openeye Name: tert-butyl 3-[(S)-(benzylsulfonylamino)-(2-vinylphenyl)methyl]indole-1-carboxylate CAS Name: 3-[(S)-(2-ethenylphenyl)-[(phenylmethyl)sulfonylamino]methyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(S)-(benzylsulfonylamino)-(2-ethenylphenyl)methyl]indole-1-carboxylate Traditional Name: 3-[(S)-(benzylsulfonylamino)-(2-vinylphenyl)methyl]indole-1-carboxylic acid tert-butyl ester Formula: C29H30N2O4S MolecularWeight: 502.6245

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)C(C3=CC=CC=C3C=C)NS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)[C@H](C3=CC=CC=C3C=C)NS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C29H30N2O4S/c1-5-22-15-9-10-16-23(22)27(30-36(33,34)20-21-13-7-6-8-14-21)25-19-31(28(32)35-29(2,3)4)26-18-12-11-17-24(25)26/h5-19,27,30H,1,20H2,2-4H3/t27-/m0/s1