N-[2-(azepan-1-ium-1-yl)ethyl]-3-[(4-methylphenyl)sulfonylamino]propanamide

Systemtic Name: N-[2-(azepan-1-ium-1-yl)ethyl]-3-[(4-methylphenyl)sulfonylamino]propanamide Openeye Name: N-[2-(azepan-1-ium-1-yl)ethyl]-3-(p-tolylsulfonylamino)propanamide CAS Name: N-[2-(1-azepan-1-iumyl)ethyl]-3-[(4-methylphenyl)sulfonylamino]propanamide IUPAC Name: N-[2-(azepan-1-ium-1-yl)ethyl]-3-[(4-methylphenyl)sulfonylamino]propanamide Traditional Name: N-[2-(azepan-1-ium-1-yl)ethyl]-3-(tosylamino)propionamide Formula: C18H30N3O3S+ MolecularWeight: 368.5141

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NCC[NH+]2CCCCCC2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NCC[NH+]2CCCCCC2

InChI

InChI=1S/C18H29N3O3S/c1-16-6-8-17(9-7-16)25(23,24)20-11-10-18(22)19-12-15-21-13-4-2-3-5-14-21/h6-9,20H,2-5,10-15H2,1H3,(H,19,22)/p+1