[4-[(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]-3,5-diethyl-phenyl] thiocyanate

Systemtic Name: [4-[(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]-3,5-diethyl-phenyl] thiocyanate Openeye Name: [4-[[4-chloro-3-(1-piperidylsulfonyl)benzoyl]amino]-3,5-diethyl-phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[[4-chloro-3-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]-3,5-diethylphenyl] ester IUPAC Name: [4-[(4-chloro-3-piperidin-1-ylsulfonylbenzoyl)amino]-3,5-diethylphenyl] thiocyanate Traditional Name: thiocyanic acid [4-[(4-chloro-3-piperidinosulfonyl-benzoyl)amino]-3,5-diethyl-phenyl] ester Formula: C23H26ClN3O3S2 MolecularWeight: 492.05384

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3)CC)SC#N

Isomeric SMILES

CCC1=CC(=CC(=C1NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3)CC)SC#N

InChI

InChI=1S/C23H26ClN3O3S2/c1-3-16-12-19(31-15-25)13-17(4-2)22(16)26-23(28)18-8-9-20(24)21(14-18)32(29,30)27-10-6-5-7-11-27/h8-9,12-14H,3-7,10-11H2,1-2H3,(H,26,28)