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

Systemtic Name: methyl 3-[(2-methylpropylamino)methyl]-1-[3-phenyl-2-(phenylsulfonyl)propyl]indole-5-carboxylate Openeye Name: methyl 1-[2-(benzenesulfonyl)-3-phenyl-propyl]-3-[(isobutylamino)methyl]indole-5-carboxylate CAS Name: 1-[2-(benzenesulfonyl)-3-phenylpropyl]-3-[(2-methylpropylamino)methyl]-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(benzenesulfonyl)-3-phenylpropyl]-3-[(2-methylpropylamino)methyl]indole-5-carboxylate Traditional Name: 1-(2-besyl-3-phenyl-propyl)-3-[(isobutylamino)methyl]indole-5-carboxylic acid methyl ester Formula: C30H34N2O4S MolecularWeight: 518.66696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNCC1=CN(C2=C1C=C(C=C2)C(=O)OC)CC(CC3=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(CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C30H34N2O4S/c1-22(2)18-31-19-25-20-32(29-15-14-24(17-28(25)29)30(33)36-3)21-27(16-23-10-6-4-7-11-23)37(34,35)26-12-8-5-9-13-26/h4-15,17,20,22,27,31H,16,18-19,21H2,1-3H3