cycloheptyl-[(2S)-1-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: cycloheptyl-[(2S)-1-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: cycloheptyl-[(1S)-1-methyl-2-(4-methyl-3-morpholinosulfonyl-anilino)-2-oxo-ethyl]ammonium CAS Name: cycloheptyl-[(2S)-1-[4-methyl-3-(4-morpholinylsulfonyl)anilino]-1-oxopropan-2-yl]ammonium IUPAC Name: cycloheptyl-[(2S)-1-(4-methyl-3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl]azanium Traditional Name: cycloheptyl-[(1S)-2-keto-1-methyl-2-(4-methyl-3-morpholinosulfonyl-anilino)ethyl]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(C)[NH2+]C2CCCCCC2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](C)[NH2+]C2CCCCCC2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H33N3O4S/c1-16-9-10-19(15-20(16)29(26,27)24-11-13-28-14-12-24)23-21(25)17(2)22-18-7-5-3-4-6-8-18/h9-10,15,17-18,22H,3-8,11-14H2,1-2H3,(H,23,25)/p+1/t17-/m0/s1