N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonyl-ethyl]butane-1-sulfonamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonyl-ethyl]butane-1-sulfonamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]butane-1-sulfonamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]-1-butanesulfonamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]butane-1-sulfonamide Traditional Name: N-[2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]butane-1-sulfonamide Formula: C17H21NO6S3 MolecularWeight: 431.54674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NCC(C1=CC2=C(C=C1)OCO2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CCCCS(=O)(=O)NCC(C1=CC2=C(C=C1)OCO2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C17H21NO6S3/c1-2-3-9-26(19,20)18-11-16(27(21,22)17-5-4-8-25-17)13-6-7-14-15(10-13)24-12-23-14/h4-8,10,16,18H,2-3,9,11-12H2,1H3