2-diethylaminoethyl 4-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate hydrochloride

Systemtic Name: 2-diethylaminoethyl 4-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate hydrochloride Openeye Name: 2-diethylaminoethyl 4-(p-tolylsulfonylcarbamoylamino)benzoate hydrochloride CAS Name: 4-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]benzoic acid 2-diethylaminoethyl ester hydrochloride IUPAC Name: 2-diethylaminoethyl 4-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate hydrochloride Traditional Name: 4-(tosylcarbamoylamino)benzoic acid 2-diethylaminoethyl ester hydrochloride Formula: C21H28ClN3O5S MolecularWeight: 469.98212

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)C.Cl

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)C.Cl

InChI

InChI=1S/C21H27N3O5S.ClH/c1-4-24(5-2)14-15-29-20(25)17-8-10-18(11-9-17)22-21(26)23-30(27,28)19-12-6-16(3)7-13-19;/h6-13H,4-5,14-15H2,1-3H3,(H2,22,23,26);1H