1-[(2-azanylpyridin-4-yl)methyl]-5-chloranyl-3-(2-chloroethylsulfamoylamino)indole-2-carboxylic acid

Systemtic Name: 1-[(2-azanylpyridin-4-yl)methyl]-5-chloranyl-3-(2-chloroethylsulfamoylamino)indole-2-carboxylic acid Openeye Name: 1-[(2-amino-4-pyridyl)methyl]-5-chloro-3-(2-chloroethylsulfamoylamino)indole-2-carboxylic acid CAS Name: 1-[(2-amino-4-pyridinyl)methyl]-5-chloro-3-(2-chloroethylsulfamoylamino)-2-indolecarboxylic acid IUPAC Name: 1-[(2-aminopyridin-4-yl)methyl]-5-chloro-3-(2-chloroethylsulfamoylamino)indole-2-carboxylic acid Traditional Name: 1-[(2-amino-4-pyridyl)methyl]-5-chloro-3-(2-chloroethylsulfamoylamino)indole-2-carboxylic acid Formula: C17H17Cl2N5O4S MolecularWeight: 458.31898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)C(=C(N2CC3=CC(=NC=C3)N)C(=O)O)NS(=O)(=O)NCCCl

Isomeric SMILES

C1=CC2=C(C=C1Cl)C(=C(N2CC3=CC(=NC=C3)N)C(=O)O)NS(=O)(=O)NCCCl

InChI

InChI=1S/C17H17Cl2N5O4S/c18-4-6-22-29(27,28)23-15-12-8-11(19)1-2-13(12)24(16(15)17(25)26)9-10-3-5-21-14(20)7-10/h1-3,5,7-8,22-23H,4,6,9H2,(H2,20,21)(H,25,26)