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

Systemtic Name: methyl 1-[2-(phenylsulfonyl)propyl]-3-(propylaminomethyl)indole-5-carboxylate Openeye Name: methyl 1-[2-(benzenesulfonyl)propyl]-3-(propylaminomethyl)indole-5-carboxylate CAS Name: 1-[2-(benzenesulfonyl)propyl]-3-(propylaminomethyl)-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(benzenesulfonyl)propyl]-3-(propylaminomethyl)indole-5-carboxylate Traditional Name: 1-(2-besylpropyl)-3-(propylaminomethyl)indole-5-carboxylic acid methyl ester Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O4S/c1-4-12-24-14-19-16-25(22-11-10-18(13-21(19)22)23(26)29-3)15-17(2)30(27,28)20-8-6-5-7-9-20/h5-11,13,16-17,24H,4,12,14-15H2,1-3H3