benzenesulfonic acid; 1-methyl-3-(4-phenylpiperidin-4-yl)urea

Systemtic Name: benzenesulfonic acid; 1-methyl-3-(4-phenylpiperidin-4-yl)urea Openeye Name: benzenesulfonic acid; 1-methyl-3-(4-phenyl-4-piperidyl)urea CAS Name: benzenesulfonic acid; 1-methyl-3-(4-phenyl-4-piperidinyl)urea IUPAC Name: benzenesulfonic acid; 1-methyl-3-(4-phenylpiperidin-4-yl)urea Traditional Name: besylic acid; 1-methyl-3-(4-phenyl-4-piperidyl)urea Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC1(CCNCC1)C2=CC=CC=C2.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CNC(=O)NC1(CCNCC1)C2=CC=CC=C2.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C13H19N3O.C6H6O3S/c1-14-12(17)16-13(7-9-15-10-8-13)11-5-3-2-4-6-11;7-10(8,9)6-4-2-1-3-5-6/h2-6,15H,7-10H2,1H3,(H2,14,16,17);1-5H,(H,7,8,9)