phenyl N-cyano-N'-(4-piperidin-1-ylsulfonylphenyl)carbamimidate

Systemtic Name: phenyl N-cyano-N'-(4-piperidin-1-ylsulfonylphenyl)carbamimidate Openeye Name: 1-cyano-2-phenyl-3-[4-(1-piperidylsulfonyl)phenyl]isourea CAS Name: N-cyano-N'-[4-(1-piperidinylsulfonyl)phenyl]carbamimidic acid phenyl ester IUPAC Name: phenyl N-cyano-N'-(4-piperidin-1-ylsulfonylphenyl)carbamimidate Traditional Name: 1-cyano-2-phenyl-3-(4-piperidinosulfonylphenyl)isourea Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N=C(NC#N)OC3=CC=CC=C3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N=C(NC#N)OC3=CC=CC=C3

InChI

InChI=1S/C19H20N4O3S/c20-15-21-19(26-17-7-3-1-4-8-17)22-16-9-11-18(12-10-16)27(24,25)23-13-5-2-6-14-23/h1,3-4,7-12H,2,5-6,13-14H2,(H,21,22)