[3-[[butan-2-yl-[(3-cyanophenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate

Systemtic Name: [3-[[butan-2-yl-[(3-cyanophenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[(3-cyanophenyl)carbamoyl-sec-butyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[butan-2-yl-[(3-cyanoanilino)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[butan-2-yl-[(3-cyanophenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[(3-cyanophenyl)carbamoyl-sec-butyl-amino]methyl]phenyl] ester Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O4S/c1-4-15(2)23(20(24)22-18-9-5-7-16(11-18)13-21)14-17-8-6-10-19(12-17)27-28(3,25)26/h5-12,15H,4,14H2,1-3H3,(H,22,24)