cycloheptyl-methyl-[2-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: cycloheptyl-methyl-[2-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: cycloheptyl-methyl-[2-(4-methyl-3-morpholinosulfonyl-anilino)-2-oxo-ethyl]ammonium CAS Name: cycloheptyl-methyl-[2-[4-methyl-3-(4-morpholinylsulfonyl)anilino]-2-oxoethyl]ammonium IUPAC Name: cycloheptyl-methyl-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]azanium Traditional Name: cycloheptyl-[2-keto-2-(4-methyl-3-morpholinosulfonyl-anilino)ethyl]-methyl-ammonium Formula: C21H34N3O4S+ MolecularWeight: 424.57736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C[NH+](C)C2CCCCCC2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[NH+](C)C2CCCCCC2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H33N3O4S/c1-17-9-10-18(15-20(17)29(26,27)24-11-13-28-14-12-24)22-21(25)16-23(2)19-7-5-3-4-6-8-19/h9-10,15,19H,3-8,11-14,16H2,1-2H3,(H,22,25)/p+1