methyl N-[4-[3-(5-chloranylindol-1-yl)propanoylamino]phenyl]sulfonylcarbamate

Systemtic Name: methyl N-[4-[3-(5-chloranylindol-1-yl)propanoylamino]phenyl]sulfonylcarbamate Openeye Name: methyl N-[4-[3-(5-chloroindol-1-yl)propanoylamino]phenyl]sulfonylcarbamate CAS Name: N-[4-[[3-(5-chloro-1-indolyl)-1-oxopropyl]amino]phenyl]sulfonylcarbamic acid methyl ester IUPAC Name: methyl N-[4-[3-(5-chloroindol-1-yl)propanoylamino]phenyl]sulfonylcarbamate Traditional Name: N-[4-[3-(5-chloroindol-1-yl)propanoylamino]phenyl]sulfonylcarbamic acid methyl ester Formula: C19H18ClN3O5S MolecularWeight: 435.88132

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)CCN2C=CC3=C2C=CC(=C3)Cl

Isomeric SMILES

COC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)CCN2C=CC3=C2C=CC(=C3)Cl

InChI

InChI=1S/C19H18ClN3O5S/c1-28-19(25)22-29(26,27)16-5-3-15(4-6-16)21-18(24)9-11-23-10-8-13-12-14(20)2-7-17(13)23/h2-8,10,12H,9,11H2,1H3,(H,21,24)(H,22,25)