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

Systemtic Name: 4-(cyclohexylmethylamino)-3-nitro-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide Openeye Name: 4-(cyclohexylmethylamino)-3-nitro-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide CAS Name: 4-(cyclohexylmethylamino)-3-nitro-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide IUPAC Name: 4-(cyclohexylmethylamino)-3-nitro-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide Traditional Name: 4-(cyclohexylmethylamino)-3-nitro-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide Formula: C19H28N4O4S MolecularWeight: 408.51502

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC2=C(C=C(C=C2)S(=O)(=O)NC3=NCCCCC3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)CNC2=C(C=C(C=C2)S(=O)(=O)NC3=NCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H28N4O4S/c24-23(25)18-13-16(28(26,27)22-19-9-5-2-6-12-20-19)10-11-17(18)21-14-15-7-3-1-4-8-15/h10-11,13,15,21H,1-9,12,14H2,(H,20,22)