7-[(5-azanylnaphthalen-1-yl)carbamoylamino]-4-oxidanyl-naphthalene-2-sulfonic acid

Systemtic Name: 7-[(5-azanylnaphthalen-1-yl)carbamoylamino]-4-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 7-[(5-amino-1-naphthyl)carbamoylamino]-4-hydroxy-naphthalene-2-sulfonic acid CAS Name: 7-[[[(5-amino-1-naphthalenyl)amino]-oxomethyl]amino]-4-hydroxy-2-naphthalenesulfonic acid IUPAC Name: 7-[(5-aminonaphthalen-1-yl)carbamoylamino]-4-hydroxynaphthalene-2-sulfonic acid Traditional Name: 7-[(5-amino-1-naphthyl)carbamoylamino]-4-hydroxy-naphthalene-2-sulfonic acid Formula: C21H17N3O5S MolecularWeight: 423.44178

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC=C2NC(=O)NC3=CC4=CC(=CC(=C4C=C3)O)S(=O)(=O)O)C(=C1)N

Isomeric SMILES

C1=CC2=C(C=CC=C2NC(=O)NC3=CC4=CC(=CC(=C4C=C3)O)S(=O)(=O)O)C(=C1)N

InChI

InChI=1S/C21H17N3O5S/c22-18-5-1-4-17-16(18)3-2-6-19(17)24-21(26)23-13-7-8-15-12(9-13)10-14(11-20(15)25)30(27,28)29/h1-11,25H,22H2,(H2,23,24,26)(H,27,28,29)