2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethoxy]-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethoxy]-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethoxy]-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethoxy]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethoxy]-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethoxy]-5-pyrrolidinosulfonyl-benzamide Formula: C20H21N3O7S MolecularWeight: 447.46164

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)NC3=CC4=C(C=C3)OCO4)C(=O)N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)NC3=CC4=C(C=C3)OCO4)C(=O)N

InChI

InChI=1S/C20H21N3O7S/c21-20(25)15-10-14(31(26,27)23-7-1-2-8-23)4-6-16(15)28-11-19(24)22-13-3-5-17-18(9-13)30-12-29-17/h3-6,9-10H,1-2,7-8,11-12H2,(H2,21,25)(H,22,24)