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

Systemtic Name: benzenesulfonic acid; 1-(4-phenylpiperidin-4-yl)urea Openeye Name: benzenesulfonic acid; (4-phenyl-4-piperidyl)urea CAS Name: benzenesulfonic acid; (4-phenyl-4-piperidinyl)urea IUPAC Name: benzenesulfonic acid; (4-phenylpiperidin-4-yl)urea Traditional Name: besylic acid; (4-phenyl-4-piperidyl)urea Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1(C2=CC=CC=C2)NC(=O)N.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

C1CNCCC1(C2=CC=CC=C2)NC(=O)N.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C12H17N3O.C6H6O3S/c13-11(16)15-12(6-8-14-9-7-12)10-4-2-1-3-5-10;7-10(8,9)6-4-2-1-3-5-6/h1-5,14H,6-9H2,(H3,13,15,16);1-5H,(H,7,8,9)