2-[[4-methyl-1-[(phenylmethyl)amino]pentan-2-yl]carbamoyl]benzenesulfonic acid

Systemtic Name: 2-[[4-methyl-1-[(phenylmethyl)amino]pentan-2-yl]carbamoyl]benzenesulfonic acid Openeye Name: 2-[[1-[(benzylamino)methyl]-3-methyl-butyl]carbamoyl]benzenesulfonic acid CAS Name: 2-[[[4-methyl-1-[(phenylmethyl)amino]pentan-2-yl]amino]-oxomethyl]benzenesulfonic acid IUPAC Name: 2-[[1-(benzylamino)-4-methylpentan-2-yl]carbamoyl]benzenesulfonic acid Traditional Name: 2-[[1-[(benzylamino)methyl]-3-methyl-butyl]carbamoyl]besylic acid Formula: C20H26N2O4S MolecularWeight: 390.49644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CNCC1=CC=CC=C1)NC(=O)C2=CC=CC=C2S(=O)(=O)O

Isomeric SMILES

CC(C)CC(CNCC1=CC=CC=C1)NC(=O)C2=CC=CC=C2S(=O)(=O)O

InChI

InChI=1S/C20H26N2O4S/c1-15(2)12-17(14-21-13-16-8-4-3-5-9-16)22-20(23)18-10-6-7-11-19(18)27(24,25)26/h3-11,15,17,21H,12-14H2,1-2H3,(H,22,23)(H,24,25,26)