2-diethylaminoethyl 4-[[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonylamino]benzoate hydrochloride

Systemtic Name: 2-diethylaminoethyl 4-[[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonylamino]benzoate hydrochloride Openeye Name: 2-diethylaminoethyl 4-[[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]amino]benzoate hydrochloride CAS Name: 4-[[[3-(1-azepanylsulfonyl)-4-chlorophenyl]-oxomethyl]amino]benzoic acid 2-diethylaminoethyl ester hydrochloride IUPAC Name: 2-diethylaminoethyl 4-[[3-(azepan-1-ylsulfonyl)-4-chlorobenzoyl]amino]benzoate hydrochloride Traditional Name: 4-[[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]amino]benzoic acid 2-diethylaminoethyl ester hydrochloride Formula: C26H35Cl2N3O5S MolecularWeight: 572.5442

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3.Cl

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3.Cl

InChI

InChI=1S/C26H34ClN3O5S.ClH/c1-3-29(4-2)17-18-35-26(32)20-9-12-22(13-10-20)28-25(31)21-11-14-23(27)24(19-21)36(33,34)30-15-7-5-6-8-16-30;/h9-14,19H,3-8,15-18H2,1-2H3,(H,28,31);1H