2-[1H-indol-5-ylmethyl-(4-methoxyphenyl)sulfonyl-amino]-3-methyl-butanoic acid

Systemtic Name: 2-[1H-indol-5-ylmethyl-(4-methoxyphenyl)sulfonyl-amino]-3-methyl-butanoic acid Openeye Name: 2-[1H-indol-5-ylmethyl-(4-methoxyphenyl)sulfonyl-amino]-3-methyl-butanoic acid CAS Name: 2-[1H-indol-5-ylmethyl-(4-methoxyphenyl)sulfonylamino]-3-methylbutanoic acid IUPAC Name: 2-[1H-indol-5-ylmethyl-(4-methoxyphenyl)sulfonylamino]-3-methylbutanoic acid Traditional Name: 2-[1H-indol-5-ylmethyl-(4-methoxyphenyl)sulfonyl-amino]-3-methyl-butyric acid Formula: C21H24N2O5S MolecularWeight: 416.49066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)N(CC1=CC2=C(C=C1)NC=C2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)C(C(=O)O)N(CC1=CC2=C(C=C1)NC=C2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H24N2O5S/c1-14(2)20(21(24)25)23(13-15-4-9-19-16(12-15)10-11-22-19)29(26,27)18-7-5-17(28-3)6-8-18/h4-12,14,20,22H,13H2,1-3H3,(H,24,25)