2-aminocarbonyl-7-[[(3R)-3-methylpiperazin-1-yl]methyl]-3-phenyl-1-benzofuran-5-sulfonic acid

Systemtic Name: 2-aminocarbonyl-7-[[(3R)-3-methylpiperazin-1-yl]methyl]-3-phenyl-1-benzofuran-5-sulfonic acid Openeye Name: 2-carbamoyl-7-[[(3R)-3-methylpiperazin-1-yl]methyl]-3-phenyl-benzofuran-5-sulfonic acid CAS Name: 2-carbamoyl-7-[[(3R)-3-methyl-1-piperazinyl]methyl]-3-phenyl-5-benzofuransulfonic acid IUPAC Name: 2-carbamoyl-7-[[(3R)-3-methylpiperazin-1-yl]methyl]-3-phenyl-1-benzofuran-5-sulfonic acid Traditional Name: 2-carbamoyl-7-[[(3R)-3-methylpiperazino]methyl]-3-phenyl-benzofuran-5-sulfonic acid Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)CC2=C3C(=CC(=C2)S(=O)(=O)O)C(=C(O3)C(=O)N)C4=CC=CC=C4

Isomeric SMILES

C[C@@H]1CN(CCN1)CC2=C3C(=CC(=C2)S(=O)(=O)O)C(=C(O3)C(=O)N)C4=CC=CC=C4

InChI

InChI=1S/C21H23N3O5S/c1-13-11-24(8-7-23-13)12-15-9-16(30(26,27)28)10-17-18(14-5-3-2-4-6-14)20(21(22)25)29-19(15)17/h2-6,9-10,13,23H,7-8,11-12H2,1H3,(H2,22,25)(H,26,27,28)/t13-/m1/s1