4-[5-chloranyl-1-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]indol-2-yl]butanoic acid

Systemtic Name: 4-[5-chloranyl-1-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]indol-2-yl]butanoic acid Openeye Name: 4-[5-chloro-1-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]indol-2-yl]butanoic acid CAS Name: 4-[5-chloro-1-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]-2-indolyl]butanoic acid IUPAC Name: 4-[5-chloro-1-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]indol-2-yl]butanoic acid Traditional Name: 4-[5-chloro-1-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]indol-2-yl]butyric acid Formula: C21H21ClN2O5S MolecularWeight: 448.91984

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCOC2=C1C=CC(=C2)S(=O)(=O)N3C4=C(C=C(C=C4)Cl)C=C3CCCC(=O)O

Isomeric SMILES

CN1CCOC2=C1C=CC(=C2)S(=O)(=O)N3C4=C(C=C(C=C4)Cl)C=C3CCCC(=O)O

InChI

InChI=1S/C21H21ClN2O5S/c1-23-9-10-29-20-13-17(6-8-19(20)23)30(27,28)24-16(3-2-4-21(25)26)12-14-11-15(22)5-7-18(14)24/h5-8,11-13H,2-4,9-10H2,1H3,(H,25,26)