1-[(2S)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]propanoyl]imidazolidin-2-one

Systemtic Name: 1-[(2S)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]propanoyl]imidazolidin-2-one Openeye Name: 1-[(2S)-2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-ium-1-yl]propanoyl]imidazolidin-2-one CAS Name: 1-[(2S)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-1-oxopropyl]-2-imidazolidinone IUPAC Name: 1-[(2S)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]propanoyl]imidazolidin-2-one Traditional Name: 1-[(2S)-2-(4-tosyl-1,4-diazepan-1-ium-1-yl)propanoyl]-2-imidazolidinone Formula: C18H27N4O4S+ MolecularWeight: 395.49638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)C(C)C(=O)N3CCNC3=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)[C@@H](C)C(=O)N3CCNC3=O

InChI

InChI=1S/C18H26N4O4S/c1-14-4-6-16(7-5-14)27(25,26)21-10-3-9-20(12-13-21)15(2)17(23)22-11-8-19-18(22)24/h4-7,15H,3,8-13H2,1-2H3,(H,19,24)/p+1/t15-/m0/s1