N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1-oxido-pyridin-1-ium-3-carboxamide Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=C[N+](=CC=C2)[O-])S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=C[N+](=CC=C2)[O-])S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C19H23N3O4S/c1-15-8-9-17(20-19(23)16-7-6-10-21(24)14-16)13-18(15)27(25,26)22-11-4-2-3-5-12-22/h6-10,13-14H,2-5,11-12H2,1H3,(H,20,23)