[5-[[butan-2-yl-[(4-chlorophenyl)carbamoyl]amino]methyl]-2-methoxy-phenyl] ethanesulfonate

Systemtic Name: [5-[[butan-2-yl-[(4-chlorophenyl)carbamoyl]amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[(4-chlorophenyl)carbamoyl-sec-butyl-amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[butan-2-yl-[(4-chloroanilino)-oxomethyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[butan-2-yl-[(4-chlorophenyl)carbamoyl]amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[(4-chlorophenyl)carbamoyl-sec-butyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C21H27ClN2O5S MolecularWeight: 454.96748

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)CC)C(=O)NC2=CC=C(C=C2)Cl

Isomeric SMILES

CCC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)CC)C(=O)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H27ClN2O5S/c1-5-15(3)24(21(25)23-18-10-8-17(22)9-11-18)14-16-7-12-19(28-4)20(13-16)29-30(26,27)6-2/h7-13,15H,5-6,14H2,1-4H3,(H,23,25)