[5-[[2-dimethylaminoethyl-[(2-methoxyphenyl)carbamoyl]amino]methyl]-2-methoxy-phenyl] 4-methoxybenzenesulfonate

Systemtic Name: [5-[[2-dimethylaminoethyl-[(2-methoxyphenyl)carbamoyl]amino]methyl]-2-methoxy-phenyl] 4-methoxybenzenesulfonate Openeye Name: [5-[[2-dimethylaminoethyl-[(2-methoxyphenyl)carbamoyl]amino]methyl]-2-methoxy-phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [5-[[2-dimethylaminoethyl-[(2-methoxyanilino)-oxomethyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[2-dimethylaminoethyl-[(2-methoxyphenyl)carbamoyl]amino]methyl]-2-methoxyphenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [5-[[2-dimethylaminoethyl-[(2-methoxyphenyl)carbamoyl]amino]methyl]-2-methoxy-phenyl] ester Formula: C27H33N3O7S MolecularWeight: 543.63182

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)OC)C(=O)NC3=CC=CC=C3OC

Isomeric SMILES

CN(C)CCN(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)OC)C(=O)NC3=CC=CC=C3OC

InChI

InChI=1S/C27H33N3O7S/c1-29(2)16-17-30(27(31)28-23-8-6-7-9-24(23)35-4)19-20-10-15-25(36-5)26(18-20)37-38(32,33)22-13-11-21(34-3)12-14-22/h6-15,18H,16-17,19H2,1-5H3,(H,28,31)