methyl 3-[[(phenylmethyl)amino]methyl]-1-(3-phenyl-2-propan-2-ylsulfonyl-propyl)indole-5-carboxylate

Systemtic Name: methyl 3-[[(phenylmethyl)amino]methyl]-1-(3-phenyl-2-propan-2-ylsulfonyl-propyl)indole-5-carboxylate Openeye Name: methyl 3-[(benzylamino)methyl]-1-(2-isopropylsulfonyl-3-phenyl-propyl)indole-5-carboxylate CAS Name: 3-[[(phenylmethyl)amino]methyl]-1-(3-phenyl-2-propan-2-ylsulfonylpropyl)-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-[(benzylamino)methyl]-1-(3-phenyl-2-propan-2-ylsulfonylpropyl)indole-5-carboxylate Traditional Name: 3-[(benzylamino)methyl]-1-(2-isopropylsulfonyl-3-phenyl-propyl)indole-5-carboxylic acid methyl ester Formula: C30H34N2O4S MolecularWeight: 518.66696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C(CC1=CC=CC=C1)CN2C=C(C3=C2C=CC(=C3)C(=O)OC)CNCC4=CC=CC=C4

Isomeric SMILES

CC(C)S(=O)(=O)C(CC1=CC=CC=C1)CN2C=C(C3=C2C=CC(=C3)C(=O)OC)CNCC4=CC=CC=C4

InChI

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