[2-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-cyclooctyl-azanium

Systemtic Name: [2-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-cyclooctyl-azanium Openeye Name: [2-(2-chloro-5-pyrrolidin-1-ylsulfonyl-anilino)-2-oxo-ethyl]-cyclooctyl-ammonium CAS Name: [2-[2-chloro-5-(1-pyrrolidinylsulfonyl)anilino]-2-oxoethyl]-cyclooctylammonium IUPAC Name: [2-(2-chloro-5-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl]-cyclooctylazanium Traditional Name: [2-(2-chloro-5-pyrrolidinosulfonyl-anilino)-2-keto-ethyl]-cyclooctyl-ammonium Formula: C20H31ClN3O3S+ MolecularWeight: 428.99644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)[NH2+]CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

Isomeric SMILES

C1CCCC(CCC1)[NH2+]CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

InChI

InChI=1S/C20H30ClN3O3S/c21-18-11-10-17(28(26,27)24-12-6-7-13-24)14-19(18)23-20(25)15-22-16-8-4-2-1-3-5-9-16/h10-11,14,16,22H,1-9,12-13,15H2,(H,23,25)/p+1