N-aminocarbonyl-3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]propanamide

Systemtic Name: N-aminocarbonyl-3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]propanamide Openeye Name: N-carbamoyl-3-[4-(p-tolylsulfonyl)-1,4-diazepan-1-ium-1-yl]propanamide CAS Name: N-carbamoyl-3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]propanamide IUPAC Name: N-carbamoyl-3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]propanamide Traditional Name: N-carbamoyl-3-(4-tosyl-1,4-diazepan-1-ium-1-yl)propionamide Formula: C16H25N4O4S+ MolecularWeight: 369.4591

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N4O4S/c1-13-3-5-14(6-4-13)25(23,24)20-9-2-8-19(11-12-20)10-7-15(21)18-16(17)22/h3-6H,2,7-12H2,1H3,(H3,17,18,21,22)/p+1