3-azanyl-8-piperazin-1-yl-chromen-2-one; naphthalene-1-sulfonic acid

Systemtic Name: 3-azanyl-8-piperazin-1-yl-chromen-2-one; naphthalene-1-sulfonic acid Openeye Name: 3-amino-8-piperazin-1-yl-chromen-2-one; naphthalene-1-sulfonic acid CAS Name: 3-amino-8-(1-piperazinyl)-1-benzopyran-2-one; 1-naphthalenesulfonic acid IUPAC Name: 3-amino-8-piperazin-1-ylchromen-2-one; naphthalene-1-sulfonic acid Traditional Name: 3-amino-8-piperazino-coumarin; naphthalene-1-sulfonic acid Formula: C23H23N3O5S MolecularWeight: 453.51082

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC=CC3=C2OC(=O)C(=C3)N.C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)O

Isomeric SMILES

C1CN(CCN1)C2=CC=CC3=C2OC(=O)C(=C3)N.C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)O

InChI

InChI=1S/C13H15N3O2.C10H8O3S/c14-10-8-9-2-1-3-11(12(9)18-13(10)17)16-6-4-15-5-7-16;11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h1-3,8,15H,4-7,14H2;1-7H,(H,11,12,13)