methyl 1-[4-methyl-2-(phenylmethyl)pentyl]-3-[(propan-2-ylsulfonylamino)methyl]indole-5-carboxylate

Systemtic Name: methyl 1-[4-methyl-2-(phenylmethyl)pentyl]-3-[(propan-2-ylsulfonylamino)methyl]indole-5-carboxylate Openeye Name: methyl 1-(2-benzyl-4-methyl-pentyl)-3-[(isopropylsulfonylamino)methyl]indole-5-carboxylate CAS Name: 1-[4-methyl-2-(phenylmethyl)pentyl]-3-[(propan-2-ylsulfonylamino)methyl]-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-benzyl-4-methylpentyl)-3-[(propan-2-ylsulfonylamino)methyl]indole-5-carboxylate Traditional Name: 1-(2-benzyl-4-methyl-pentyl)-3-[(isopropylsulfonylamino)methyl]indole-5-carboxylic acid methyl ester Formula: C27H36N2O4S MolecularWeight: 484.65074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC1=CC=CC=C1)CN2C=C(C3=C2C=CC(=C3)C(=O)OC)CNS(=O)(=O)C(C)C

Isomeric SMILES

CC(C)CC(CC1=CC=CC=C1)CN2C=C(C3=C2C=CC(=C3)C(=O)OC)CNS(=O)(=O)C(C)C

InChI

InChI=1S/C27H36N2O4S/c1-19(2)13-22(14-21-9-7-6-8-10-21)17-29-18-24(16-28-34(31,32)20(3)4)25-15-23(27(30)33-5)11-12-26(25)29/h6-12,15,18-20,22,28H,13-14,16-17H2,1-5H3