methyl 3-[[(phenylmethyl)amino]methyl]-1-[2-(phenylsulfonyl)propyl]indole-5-carboxylate

Systemtic Name: methyl 3-[[(phenylmethyl)amino]methyl]-1-[2-(phenylsulfonyl)propyl]indole-5-carboxylate Openeye Name: methyl 1-[2-(benzenesulfonyl)propyl]-3-[(benzylamino)methyl]indole-5-carboxylate CAS Name: 1-[2-(benzenesulfonyl)propyl]-3-[[(phenylmethyl)amino]methyl]-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(benzenesulfonyl)propyl]-3-[(benzylamino)methyl]indole-5-carboxylate Traditional Name: 3-[(benzylamino)methyl]-1-(2-besylpropyl)indole-5-carboxylic acid methyl ester Formula: C27H28N2O4S MolecularWeight: 476.58722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O4S/c1-20(34(31,32)24-11-7-4-8-12-24)18-29-19-23(17-28-16-21-9-5-3-6-10-21)25-15-22(27(30)33-2)13-14-26(25)29/h3-15,19-20,28H,16-18H2,1-2H3