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

Systemtic Name: methyl 1-(2-phenoxysulfonyl-2-propan-2-ylsulfonyl-ethyl)-3-[[(phenylmethyl)amino]methyl]indole-5-carboxylate Openeye Name: methyl 3-[(benzylamino)methyl]-1-(2-isopropylsulfonyl-2-phenoxysulfonyl-ethyl)indole-5-carboxylate CAS Name: 1-(2-phenoxysulfonyl-2-propan-2-ylsulfonylethyl)-3-[[(phenylmethyl)amino]methyl]-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-[(benzylamino)methyl]-1-(2-phenoxysulfonyl-2-propan-2-ylsulfonylethyl)indole-5-carboxylate Traditional Name: 3-[(benzylamino)methyl]-1-(2-isopropylsulfonyl-2-phenoxysulfonyl-ethyl)indole-5-carboxylic acid methyl ester Formula: C29H32N2O7S2 MolecularWeight: 584.70358

Click to see the large picture

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)OC4=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)OC4=CC=CC=C4

InChI

InChI=1S/C29H32N2O7S2/c1-21(2)39(33,34)28(40(35,36)38-25-12-8-5-9-13-25)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