[4-[[butan-2-yl-[(2-methoxyphenyl)carbamoyl]amino]methyl]phenyl] propane-2-sulfonate

Systemtic Name: [4-[[butan-2-yl-[(2-methoxyphenyl)carbamoyl]amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [4-[[(2-methoxyphenyl)carbamoyl-sec-butyl-amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [4-[[butan-2-yl-[(2-methoxyphenyl)carbamoyl]amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [4-[[(2-methoxyphenyl)carbamoyl-sec-butyl-amino]methyl]phenyl] ester Formula: C22H30N2O5S MolecularWeight: 434.549

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C(C)C)C(=O)NC2=CC=CC=C2OC

Isomeric SMILES

CCC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C(C)C)C(=O)NC2=CC=CC=C2OC

InChI

InChI=1S/C22H30N2O5S/c1-6-17(4)24(22(25)23-20-9-7-8-10-21(20)28-5)15-18-11-13-19(14-12-18)29-30(26,27)16(2)3/h7-14,16-17H,6,15H2,1-5H3,(H,23,25)