methyl 3-(phenylazanylmethyl)-1-(3-phenyl-2-propan-2-ylsulfonyl-propyl)indole-5-carboxylate

Systemtic Name: methyl 3-(phenylazanylmethyl)-1-(3-phenyl-2-propan-2-ylsulfonyl-propyl)indole-5-carboxylate Openeye Name: methyl 3-(anilinomethyl)-1-(2-isopropylsulfonyl-3-phenyl-propyl)indole-5-carboxylate CAS Name: 3-(anilinomethyl)-1-(3-phenyl-2-propan-2-ylsulfonylpropyl)-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-(anilinomethyl)-1-(3-phenyl-2-propan-2-ylsulfonylpropyl)indole-5-carboxylate Traditional Name: 3-(anilinomethyl)-1-(2-isopropylsulfonyl-3-phenyl-propyl)indole-5-carboxylic acid methyl ester Formula: C29H32N2O4S MolecularWeight: 504.64038

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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)CNC4=CC=CC=C4

Isomeric SMILES

CC(C)S(=O)(=O)C(CC1=CC=CC=C1)CN2C=C(C3=C2C=CC(=C3)C(=O)OC)CNC4=CC=CC=C4

InChI

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