[2-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-(cyclohexylmethyl)azanium

Systemtic Name: [2-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-(cyclohexylmethyl)azanium Openeye Name: [2-[2-chloro-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl]-(cyclohexylmethyl)ammonium CAS Name: [2-[2-chloro-5-(1-piperidinylsulfonyl)anilino]-2-oxoethyl]-(cyclohexylmethyl)ammonium IUPAC Name: [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]-(cyclohexylmethyl)azanium Traditional Name: [2-(2-chloro-5-piperidinosulfonyl-anilino)-2-keto-ethyl]-(cyclohexylmethyl)ammonium Formula: C20H31ClN3O3S+ MolecularWeight: 428.99644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C[NH2+]CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

Isomeric SMILES

C1CCC(CC1)C[NH2+]CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

InChI

InChI=1S/C20H30ClN3O3S/c21-18-10-9-17(28(26,27)24-11-5-2-6-12-24)13-19(18)23-20(25)15-22-14-16-7-3-1-4-8-16/h9-10,13,16,22H,1-8,11-12,14-15H2,(H,23,25)/p+1