5-nitro-2-[4-(prop-2-enoylamino)butoxy]-3-[4-(prop-2-enoylamino)butylamino]benzenesulfonic acid

Systemtic Name: 5-nitro-2-[4-(prop-2-enoylamino)butoxy]-3-[4-(prop-2-enoylamino)butylamino]benzenesulfonic acid Openeye Name: 5-nitro-2-[4-(prop-2-enoylamino)butoxy]-3-[4-(prop-2-enoylamino)butylamino]benzenesulfonic acid CAS Name: 5-nitro-2-[4-(1-oxoprop-2-enylamino)butoxy]-3-[4-(1-oxoprop-2-enylamino)butylamino]benzenesulfonic acid IUPAC Name: 5-nitro-2-[4-(prop-2-enoylamino)butoxy]-3-[4-(prop-2-enoylamino)butylamino]benzenesulfonic acid Traditional Name: 2-(4-acrylamidobutoxy)-3-(4-acrylamidobutylamino)-5-nitro-besylic acid Formula: C20H28N4O8S MolecularWeight: 484.52332

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)NCCCCNC1=CC(=CC(=C1OCCCCNC(=O)C=C)S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

C=CC(=O)NCCCCNC1=CC(=CC(=C1OCCCCNC(=O)C=C)S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C20H28N4O8S/c1-3-18(25)22-10-6-5-9-21-16-13-15(24(27)28)14-17(33(29,30)31)20(16)32-12-8-7-11-23-19(26)4-2/h3-4,13-14,21H,1-2,5-12H2,(H,22,25)(H,23,26)(H,29,30,31)