2-[1H-indol-5-yl-(4-methoxy-2,5-dimethyl-phenyl)sulfonyl-amino]-3-methyl-butanoic acid

Systemtic Name: 2-[1H-indol-5-yl-(4-methoxy-2,5-dimethyl-phenyl)sulfonyl-amino]-3-methyl-butanoic acid Openeye Name: 2-[1H-indol-5-yl-(4-methoxy-2,5-dimethyl-phenyl)sulfonyl-amino]-3-methyl-butanoic acid CAS Name: 2-[1H-indol-5-yl-(4-methoxy-2,5-dimethylphenyl)sulfonylamino]-3-methylbutanoic acid IUPAC Name: 2-[1H-indol-5-yl-(4-methoxy-2,5-dimethylphenyl)sulfonylamino]-3-methylbutanoic acid Traditional Name: 2-[1H-indol-5-yl-(4-methoxy-2,5-dimethyl-phenyl)sulfonyl-amino]-3-methyl-butyric acid Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)N(C2=CC3=C(C=C2)NC=C3)C(C(C)C)C(=O)O)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)N(C2=CC3=C(C=C2)NC=C3)C(C(C)C)C(=O)O)C)OC

InChI

InChI=1S/C22H26N2O5S/c1-13(2)21(22(25)26)24(17-6-7-18-16(12-17)8-9-23-18)30(27,28)20-11-14(3)19(29-5)10-15(20)4/h6-13,21,23H,1-5H3,(H,25,26)