4-(4-methylpiperidin-1-yl)-3-nitro-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide

Systemtic Name: 4-(4-methylpiperidin-1-yl)-3-nitro-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide Openeye Name: 4-(4-methyl-1-piperidyl)-3-nitro-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide CAS Name: 4-(4-methyl-1-piperidinyl)-3-nitro-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide IUPAC Name: 4-(4-methylpiperidin-1-yl)-3-nitro-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide Traditional Name: 4-(4-methylpiperidino)-3-nitro-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide Formula: C18H26N4O4S MolecularWeight: 394.48844

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)NC3=NCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)NC3=NCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H26N4O4S/c1-14-8-11-21(12-9-14)16-7-6-15(13-17(16)22(23)24)27(25,26)20-18-5-3-2-4-10-19-18/h6-7,13-14H,2-5,8-12H2,1H3,(H,19,20)