1-[4-(4-nitrophenyl)sulfonylphenyl]-3-(piperidin-1-ium-4-ylmethyl)urea

Systemtic Name: 1-[4-(4-nitrophenyl)sulfonylphenyl]-3-(piperidin-1-ium-4-ylmethyl)urea Openeye Name: 1-[4-(4-nitrophenyl)sulfonylphenyl]-3-(piperidin-1-ium-4-ylmethyl)urea CAS Name: 1-[4-(4-nitrophenyl)sulfonylphenyl]-3-(4-piperidin-1-iumylmethyl)urea IUPAC Name: 1-[4-(4-nitrophenyl)sulfonylphenyl]-3-(piperidin-1-ium-4-ylmethyl)urea Traditional Name: 1-(4-nosylphenyl)-3-(piperidin-1-ium-4-ylmethyl)urea Formula: C19H23N4O5S+ MolecularWeight: 419.47472

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1CNC(=O)NC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1C[NH2+]CCC1CNC(=O)NC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O5S/c24-19(21-13-14-9-11-20-12-10-14)22-15-1-5-17(6-2-15)29(27,28)18-7-3-16(4-8-18)23(25)26/h1-8,14,20H,9-13H2,(H2,21,22,24)/p+1