tert-butyl 3-[(S)-(2-ethenylphenyl)-[(phenylmethyl)sulfonyl-prop-2-enyl-amino]methyl]indole-1-carboxylate

Systemtic Name: tert-butyl 3-[(S)-(2-ethenylphenyl)-[(phenylmethyl)sulfonyl-prop-2-enyl-amino]methyl]indole-1-carboxylate Openeye Name: tert-butyl 3-[(S)-[allyl(benzylsulfonyl)amino]-(2-vinylphenyl)methyl]indole-1-carboxylate CAS Name: 3-[(S)-(2-ethenylphenyl)-[(phenylmethyl)sulfonyl-prop-2-enylamino]methyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(S)-[benzylsulfonyl(prop-2-enyl)amino]-(2-ethenylphenyl)methyl]indole-1-carboxylate Traditional Name: 3-[(S)-[allyl(benzylsulfonyl)amino]-(2-vinylphenyl)methyl]indole-1-carboxylic acid tert-butyl ester Formula: C32H34N2O4S MolecularWeight: 542.68836

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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)N(CC=C)S(=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)N(CC=C)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C32H34N2O4S/c1-6-21-34(39(36,37)23-24-15-9-8-10-16-24)30(26-18-12-11-17-25(26)7-2)28-22-33(31(35)38-32(3,4)5)29-20-14-13-19-27(28)29/h6-20,22,30H,1-2,21,23H2,3-5H3/t30-/m0/s1