N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-[(4-nitrophenyl)sulfonylamino]propanamide

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-[(4-nitrophenyl)sulfonylamino]propanamide Openeye Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-[(4-nitrophenyl)sulfonylamino]propanamide CAS Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-[(4-nitrophenyl)sulfonylamino]propanamide IUPAC Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-[(4-nitrophenyl)sulfonylamino]propanamide Traditional Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(nosylamino)propionamide Formula: C18H18N4O6S2 MolecularWeight: 450.48872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CCNS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CCNS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O6S2/c1-2-28-13-5-8-15-16(11-13)29-18(20-15)21-17(23)9-10-19-30(26,27)14-6-3-12(4-7-14)22(24)25/h3-8,11,19H,2,9-10H2,1H3,(H,20,21,23)