3-(1,3-benzodioxol-5-yl)-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]propanamide

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]propanamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-[5-(4-nitrophenyl)sulfonylthiazol-2-yl]propanamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-[5-(4-nitrophenyl)sulfonyl-2-thiazolyl]propanamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]propanamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-(5-nosylthiazol-2-yl)propionamide Formula: C19H15N3O7S2 MolecularWeight: 461.4683

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCC(=O)NC3=NC=C(S3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCC(=O)NC3=NC=C(S3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H15N3O7S2/c23-17(8-2-12-1-7-15-16(9-12)29-11-28-15)21-19-20-10-18(30-19)31(26,27)14-5-3-13(4-6-14)22(24)25/h1,3-7,9-10H,2,8,11H2,(H,20,21,23)