methyl 3-[[(phenylmethyl)amino]methyl]-1-[2-(phenylsulfonyl)-2-propan-2-ylsulfonyl-ethyl]indole-5-carboxylate

Systemtic Name: methyl 3-[[(phenylmethyl)amino]methyl]-1-[2-(phenylsulfonyl)-2-propan-2-ylsulfonyl-ethyl]indole-5-carboxylate Openeye Name: methyl 1-[2-(benzenesulfonyl)-2-isopropylsulfonyl-ethyl]-3-[(benzylamino)methyl]indole-5-carboxylate CAS Name: 1-[2-(benzenesulfonyl)-2-propan-2-ylsulfonylethyl]-3-[[(phenylmethyl)amino]methyl]-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(benzenesulfonyl)-2-propan-2-ylsulfonylethyl]-3-[(benzylamino)methyl]indole-5-carboxylate Traditional Name: 3-[(benzylamino)methyl]-1-(2-besyl-2-isopropylsulfonyl-ethyl)indole-5-carboxylic acid methyl ester Formula: C29H32N2O6S2 MolecularWeight: 568.70418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C(CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNCC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)S(=O)(=O)C(CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNCC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

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