N-[2-[4-(2-azanylidene-3-cyclohexyl-imidazolidin-1-yl)sulfonylphenyl]ethyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[2-[4-(2-azanylidene-3-cyclohexyl-imidazolidin-1-yl)sulfonylphenyl]ethyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[2-[4-(3-cyclohexyl-2-imino-imidazolidin-1-yl)sulfonylphenyl]ethyl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-[2-[4-[(3-cyclohexyl-2-imino-1-imidazolidinyl)sulfonyl]phenyl]ethyl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-[2-[4-(3-cyclohexyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-[2-[4-(3-cyclohexyl-2-imino-imidazolidin-1-yl)sulfonylphenyl]ethyl]-1-oxido-pyridin-1-ium-3-carboxamide Formula: C23H29N5O4S MolecularWeight: 471.57246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(C2=N)S(=O)(=O)C3=CC=C(C=C3)CCNC(=O)C4=C[N+](=CC=C4)[O-]

Isomeric SMILES

C1CCC(CC1)N2CCN(C2=N)S(=O)(=O)C3=CC=C(C=C3)CCNC(=O)C4=C[N+](=CC=C4)[O-]

InChI

InChI=1S/C23H29N5O4S/c24-23-27(20-6-2-1-3-7-20)15-16-28(23)33(31,32)21-10-8-18(9-11-21)12-13-25-22(29)19-5-4-14-26(30)17-19/h4-5,8-11,14,17,20,24H,1-3,6-7,12-13,15-16H2,(H,25,29)