methyl 3-[[(phenylmethyl)amino]methyl]-1-(2-propan-2-ylsulfonylpentyl)indole-5-carboxylate

Systemtic Name: methyl 3-[[(phenylmethyl)amino]methyl]-1-(2-propan-2-ylsulfonylpentyl)indole-5-carboxylate Openeye Name: methyl 3-[(benzylamino)methyl]-1-(2-isopropylsulfonylpentyl)indole-5-carboxylate CAS Name: 3-[[(phenylmethyl)amino]methyl]-1-(2-propan-2-ylsulfonylpentyl)-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-[(benzylamino)methyl]-1-(2-propan-2-ylsulfonylpentyl)indole-5-carboxylate Traditional Name: 3-[(benzylamino)methyl]-1-(2-isopropylsulfonylpentyl)indole-5-carboxylic acid methyl ester Formula: C26H34N2O4S MolecularWeight: 470.62416

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNCC3=CC=CC=C3)S(=O)(=O)C(C)C

Isomeric SMILES

CCCC(CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNCC3=CC=CC=C3)S(=O)(=O)C(C)C

InChI

InChI=1S/C26H34N2O4S/c1-5-9-23(33(30,31)19(2)3)18-28-17-22(16-27-15-20-10-7-6-8-11-20)24-14-21(26(29)32-4)12-13-25(24)28/h6-8,10-14,17,19,23,27H,5,9,15-16,18H2,1-4H3