azepan-1-ylsulfonyl-(furan-2-ylmethyl)-(2-oxidanylidene-2-phenylazanyl-ethyl)azanium

Systemtic Name: azepan-1-ylsulfonyl-(furan-2-ylmethyl)-(2-oxidanylidene-2-phenylazanyl-ethyl)azanium Openeye Name: (2-anilino-2-oxo-ethyl)-(azepan-1-ylsulfonyl)-(2-furylmethyl)ammonium CAS Name: (2-anilino-2-oxoethyl)-(1-azepanylsulfonyl)-(2-furanylmethyl)ammonium IUPAC Name: (2-anilino-2-oxoethyl)-(azepan-1-ylsulfonyl)-(furan-2-ylmethyl)azanium Traditional Name: (2-anilino-2-keto-ethyl)-(azepan-1-ylsulfonyl)-(2-furfuryl)ammonium Formula: C19H26N3O4S+ MolecularWeight: 392.49244

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)[NH+](CC2=CC=CO2)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)[NH+](CC2=CC=CO2)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C19H25N3O4S/c23-19(20-17-9-4-3-5-10-17)16-22(15-18-11-8-14-26-18)27(24,25)21-12-6-1-2-7-13-21/h3-5,8-11,14H,1-2,6-7,12-13,15-16H2,(H,20,23)/p+1