N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-3-pyrrolidinosulfonyl-benzamide Formula: C19H18N4O7S MolecularWeight: 446.43382

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NN=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N/N=C/C3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C19H18N4O7S/c24-19(13-4-3-5-15(8-13)31(27,28)22-6-1-2-7-22)21-20-11-14-9-17-18(30-12-29-17)10-16(14)23(25)26/h3-5,8-11H,1-2,6-7,12H2,(H,21,24)/b20-11+