sodium 3-[4-(prop-2-enoylamino)butoxy]-4-[4-(prop-2-enoylamino)butylamino]naphthalene-1-sulfonate

Systemtic Name: sodium 3-[4-(prop-2-enoylamino)butoxy]-4-[4-(prop-2-enoylamino)butylamino]naphthalene-1-sulfonate Openeye Name: sodium 3-[4-(prop-2-enoylamino)butoxy]-4-[4-(prop-2-enoylamino)butylamino]naphthalene-1-sulfonate CAS Name: sodium 3-[4-(1-oxoprop-2-enylamino)butoxy]-4-[4-(1-oxoprop-2-enylamino)butylamino]-1-naphthalenesulfonate IUPAC Name: sodium 3-[4-(prop-2-enoylamino)butoxy]-4-[4-(prop-2-enoylamino)butylamino]naphthalene-1-sulfonate Traditional Name: sodium 3-(4-acrylamidobutoxy)-4-(4-acrylamidobutylamino)naphthalene-1-sulfonate Formula: C24H30N3NaO6S MolecularWeight: 511.56627

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)NCCCCNC1=C(C=C(C2=CC=CC=C21)S(=O)(=O)[O-])OCCCCNC(=O)C=C.[Na+]

Isomeric SMILES

C=CC(=O)NCCCCNC1=C(C=C(C2=CC=CC=C21)S(=O)(=O)[O-])OCCCCNC(=O)C=C.[Na+]

InChI

InChI=1S/C24H31N3O6S.Na/c1-3-22(28)25-13-7-8-15-27-24-19-12-6-5-11-18(19)21(34(30,31)32)17-20(24)33-16-10-9-14-26-23(29)4-2;/h3-6,11-12,17,27H,1-2,7-10,13-16H2,(H,25,28)(H,26,29)(H,30,31,32);/q;+1/p-1