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

Systemtic Name: methyl 3-[(2-methylpropylamino)methyl]-1-[2-phenyl-2-(phenylsulfonyl)ethyl]indole-5-carboxylate Openeye Name: methyl 1-[2-(benzenesulfonyl)-2-phenyl-ethyl]-3-[(isobutylamino)methyl]indole-5-carboxylate CAS Name: 1-[2-(benzenesulfonyl)-2-phenylethyl]-3-[(2-methylpropylamino)methyl]-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(benzenesulfonyl)-2-phenylethyl]-3-[(2-methylpropylamino)methyl]indole-5-carboxylate Traditional Name: 1-(2-besyl-2-phenyl-ethyl)-3-[(isobutylamino)methyl]indole-5-carboxylic acid methyl ester Formula: C29H32N2O4S MolecularWeight: 504.64038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H32N2O4S/c1-21(2)17-30-18-24-19-31(27-15-14-23(16-26(24)27)29(32)35-3)20-28(22-10-6-4-7-11-22)36(33,34)25-12-8-5-9-13-25/h4-16,19,21,28,30H,17-18,20H2,1-3H3