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

Systemtic Name: methyl 3-(ethylaminomethyl)-1-[3-phenyl-2-(phenylsulfonyl)propyl]indole-5-carboxylate Openeye Name: methyl 1-[2-(benzenesulfonyl)-3-phenyl-propyl]-3-(ethylaminomethyl)indole-5-carboxylate CAS Name: 1-[2-(benzenesulfonyl)-3-phenylpropyl]-3-(ethylaminomethyl)-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(benzenesulfonyl)-3-phenylpropyl]-3-(ethylaminomethyl)indole-5-carboxylate Traditional Name: 1-(2-besyl-3-phenyl-propyl)-3-(ethylaminomethyl)indole-5-carboxylic acid methyl ester Formula: C28H30N2O4S MolecularWeight: 490.6138

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC1=CN(C2=C1C=C(C=C2)C(=O)OC)CC(CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCNCC1=CN(C2=C1C=C(C=C2)C(=O)OC)CC(CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H30N2O4S/c1-3-29-18-23-19-30(27-15-14-22(17-26(23)27)28(31)34-2)20-25(16-21-10-6-4-7-11-21)35(32,33)24-12-8-5-9-13-24/h4-15,17,19,25,29H,3,16,18,20H2,1-2H3