methyl 1-[3-phenyl-2-(phenylsulfonyl)propyl]-3-(propylaminomethyl)indole-5-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCNCC1=CN(C2=C1C=C(C=C2)C(=O)OC)CC(CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCCNCC1=CN(C2=C1C=C(C=C2)C(=O)OC)CC(CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

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