methyl 1-[2,2-bis(phenylsulfonyl)ethyl]-3-[(2-methylpropylamino)methyl]indole-5-carboxylate

Systemtic Name: methyl 1-[2,2-bis(phenylsulfonyl)ethyl]-3-[(2-methylpropylamino)methyl]indole-5-carboxylate Openeye Name: methyl 1-[2,2-bis(benzenesulfonyl)ethyl]-3-[(isobutylamino)methyl]indole-5-carboxylate CAS Name: 1-[2,2-bis(benzenesulfonyl)ethyl]-3-[(2-methylpropylamino)methyl]-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2,2-bis(benzenesulfonyl)ethyl]-3-[(2-methylpropylamino)methyl]indole-5-carboxylate Traditional Name: 1-(2,2-dibesylethyl)-3-[(isobutylamino)methyl]indole-5-carboxylic acid methyl ester Formula: C29H32N2O6S2 MolecularWeight: 568.70418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNCC1=CN(C2=C1C=C(C=C2)C(=O)OC)CC(S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)CNCC1=CN(C2=C1C=C(C=C2)C(=O)OC)CC(S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H32N2O6S2/c1-21(2)17-30-18-23-19-31(27-15-14-22(16-26(23)27)29(32)37-3)20-28(38(33,34)24-10-6-4-7-11-24)39(35,36)25-12-8-5-9-13-25/h4-16,19,21,28,30H,17-18,20H2,1-3H3