N-butan-2-yl-2-[2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]ethanoylamino]benzamide

Systemtic Name: N-butan-2-yl-2-[2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]ethanoylamino]benzamide Openeye Name: 2-[[2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetyl]amino]-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-2-[[2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-1-oxoethyl]amino]benzamide IUPAC Name: N-butan-2-yl-2-[[2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetyl]amino]benzamide Traditional Name: 2-[[2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetyl]amino]-N-sec-butyl-benzamide Formula: C23H29N3O6S MolecularWeight: 475.55786

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC=CC=C1NC(=O)CN(C)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CCC(C)NC(=O)C1=CC=CC=C1NC(=O)CN(C)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C23H29N3O6S/c1-4-16(2)24-23(28)18-8-5-6-9-19(18)25-22(27)15-26(3)33(29,30)17-10-11-20-21(14-17)32-13-7-12-31-20/h5-6,8-11,14,16H,4,7,12-13,15H2,1-3H3,(H,24,28)(H,25,27)