3-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethanoyl-(phenylmethyl)amino]propanamide

Systemtic Name: 3-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethanoyl-(phenylmethyl)amino]propanamide Openeye Name: 3-[benzyl-[2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-ium-1-yl]acetyl]amino]propanamide CAS Name: 3-[[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-1-oxoethyl]-(phenylmethyl)amino]propanamide IUPAC Name: 3-[benzyl-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetyl]amino]propanamide Traditional Name: 3-[benzyl-[2-(4-tosyl-1,4-diazepan-1-ium-1-yl)acetyl]amino]propionamide Formula: C24H33N4O4S+ MolecularWeight: 473.60822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CC(=O)N(CCC(=O)N)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CC(=O)N(CCC(=O)N)CC3=CC=CC=C3

InChI

InChI=1S/C24H32N4O4S/c1-20-8-10-22(11-9-20)33(31,32)28-14-5-13-26(16-17-28)19-24(30)27(15-12-23(25)29)18-21-6-3-2-4-7-21/h2-4,6-11H,5,12-19H2,1H3,(H2,25,29)/p+1