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

Systemtic Name: methyl 1-[2-(phenylmethyl)butyl]-3-[(propan-2-ylsulfonylamino)methyl]indole-5-carboxylate Openeye Name: methyl 1-(2-benzylbutyl)-3-[(isopropylsulfonylamino)methyl]indole-5-carboxylate CAS Name: 1-[2-(phenylmethyl)butyl]-3-[(propan-2-ylsulfonylamino)methyl]-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-benzylbutyl)-3-[(propan-2-ylsulfonylamino)methyl]indole-5-carboxylate Traditional Name: 1-(2-benzylbutyl)-3-[(isopropylsulfonylamino)methyl]indole-5-carboxylic acid methyl ester Formula: C25H32N2O4S MolecularWeight: 456.59758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O4S/c1-5-19(13-20-9-7-6-8-10-20)16-27-17-22(15-26-32(29,30)18(2)3)23-14-21(25(28)31-4)11-12-24(23)27/h6-12,14,17-19,26H,5,13,15-16H2,1-4H3