tert-butyl N-[(2-iodanylphenyl)methyl]-N-[5-methoxy-1-(phenylsulfonyl)indol-3-yl]carbonyl-carbamate

Systemtic Name: tert-butyl N-[(2-iodanylphenyl)methyl]-N-[5-methoxy-1-(phenylsulfonyl)indol-3-yl]carbonyl-carbamate Openeye Name: tert-butyl N-[1-(benzenesulfonyl)-5-methoxy-indole-3-carbonyl]-N-[(2-iodophenyl)methyl]carbamate CAS Name: N-[[1-(benzenesulfonyl)-5-methoxy-3-indolyl]-oxomethyl]-N-[(2-iodophenyl)methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(benzenesulfonyl)-5-methoxyindole-3-carbonyl]-N-[(2-iodophenyl)methyl]carbamate Traditional Name: N-(1-besyl-5-methoxy-indole-3-carbonyl)-N-(2-iodobenzyl)carbamic acid tert-butyl ester Formula: C28H27IN2O6S MolecularWeight: 646.49325

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CC1=CC=CC=C1I)C(=O)C2=CN(C3=C2C=C(C=C3)OC)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N(CC1=CC=CC=C1I)C(=O)C2=CN(C3=C2C=C(C=C3)OC)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H27IN2O6S/c1-28(2,3)37-27(33)30(17-19-10-8-9-13-24(19)29)26(32)23-18-31(25-15-14-20(36-4)16-22(23)25)38(34,35)21-11-6-5-7-12-21/h5-16,18H,17H2,1-4H3