7-chloranyl-2-methyl-1-[3-(sulfonylamino)propyl]indole-3-carboxylic acid

Systemtic Name: 7-chloranyl-2-methyl-1-[3-(sulfonylamino)propyl]indole-3-carboxylic acid Openeye Name: 7-chloro-2-methyl-1-[3-(sulfonylamino)propyl]indole-3-carboxylic acid CAS Name: 7-chloro-2-methyl-1-[3-(sulfonylamino)propyl]-3-indolecarboxylic acid IUPAC Name: 7-chloro-2-methyl-1-[3-(sulfonylamino)propyl]indole-3-carboxylic acid Traditional Name: 7-chloro-2-methyl-1-[3-(sulfonylamino)propyl]indole-3-carboxylic acid Formula: C13H13ClN2O4S MolecularWeight: 328.77132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CCCN=S(=O)=O)C(=CC=C2)Cl)C(=O)O

Isomeric SMILES

CC1=C(C2=C(N1CCCN=S(=O)=O)C(=CC=C2)Cl)C(=O)O

InChI

InChI=1S/C13H13ClN2O4S/c1-8-11(13(17)18)9-4-2-5-10(14)12(9)16(8)7-3-6-15-21(19)20/h2,4-5H,3,6-7H2,1H3,(H,17,18)