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

Systemtic Name: 4-(3-morpholin-4-ium-4-ylpropylamino)-3-nitro-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide Openeye Name: 4-(3-morpholin-4-ium-4-ylpropylamino)-3-nitro-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide CAS Name: 4-[3-(4-morpholin-4-iumyl)propylamino]-3-nitro-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide IUPAC Name: 4-(3-morpholin-4-ium-4-ylpropylamino)-3-nitro-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide Traditional Name: 4-(3-morpholin-4-ium-4-ylpropylamino)-3-nitro-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide Formula: C19H30N5O5S+ MolecularWeight: 440.537

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)NS(=O)(=O)C2=CC(=C(C=C2)NCCC[NH+]3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(=NCC1)NS(=O)(=O)C2=CC(=C(C=C2)NCCC[NH+]3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H29N5O5S/c25-24(26)18-15-16(30(27,28)22-19-5-2-1-3-8-21-19)6-7-17(18)20-9-4-10-23-11-13-29-14-12-23/h6-7,15,20H,1-5,8-14H2,(H,21,22)/p+1