[3-[[1-(dimethylazaniumyl)cyclohexyl]methylcarbamoyl]phenyl]sulfonyl-(4-methylphenyl)azanide

Systemtic Name: [3-[[1-(dimethylazaniumyl)cyclohexyl]methylcarbamoyl]phenyl]sulfonyl-(4-methylphenyl)azanide Openeye Name: [3-[[1-(dimethylammonio)cyclohexyl]methylcarbamoyl]phenyl]sulfonyl-(p-tolyl)azanide CAS Name: [3-[[[1-(dimethylammonio)cyclohexyl]methylamino]-oxomethyl]phenyl]sulfonyl-(4-methylphenyl)azanide IUPAC Name: [3-[[1-(dimethylazaniumyl)cyclohexyl]methylcarbamoyl]phenyl]sulfonyl-(4-methylphenyl)azanide Traditional Name: [3-[[1-(dimethylammonio)cyclohexyl]methylcarbamoyl]phenyl]sulfonyl-(p-tolyl)azanide Formula: C23H31N3O3S MolecularWeight: 429.57554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[N-]S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3(CCCCC3)[NH+](C)C

Isomeric SMILES

CC1=CC=C(C=C1)[N-]S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3(CCCCC3)[NH+](C)C

InChI

InChI=1S/C23H30N3O3S/c1-18-10-12-20(13-11-18)25-30(28,29)21-9-7-8-19(16-21)22(27)24-17-23(26(2)3)14-5-4-6-15-23/h7-13,16H,4-6,14-15,17H2,1-3H3,(H,24,27)/q-1/p+1