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

Systemtic Name: methyl 1-[4-methyl-2-(phenylmethyl)pentyl]-3-[(phenoxysulfonylamino)methyl]indole-5-carboxylate Openeye Name: methyl 1-(2-benzyl-4-methyl-pentyl)-3-[(phenoxysulfonylamino)methyl]indole-5-carboxylate CAS Name: 1-[4-methyl-2-(phenylmethyl)pentyl]-3-[(phenoxysulfonylamino)methyl]-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-benzyl-4-methylpentyl)-3-[(phenoxysulfonylamino)methyl]indole-5-carboxylate Traditional Name: 1-(2-benzyl-4-methyl-pentyl)-3-[(phenoxysulfonylamino)methyl]indole-5-carboxylic acid methyl ester Formula: C30H34N2O5S MolecularWeight: 534.66636

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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)OC4=CC=CC=C4

Isomeric SMILES

CC(C)CC(CC1=CC=CC=C1)CN2C=C(C3=C2C=CC(=C3)C(=O)OC)CNS(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C30H34N2O5S/c1-22(2)16-24(17-23-10-6-4-7-11-23)20-32-21-26(28-18-25(30(33)36-3)14-15-29(28)32)19-31-38(34,35)37-27-12-8-5-9-13-27/h4-15,18,21-22,24,31H,16-17,19-20H2,1-3H3