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

Systemtic Name: N-butan-2-yl-2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-sec-butyl-acetamide CAS Name: N-butan-2-yl-2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-N-butan-2-yl-2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetamide Traditional Name: N-benzyl-2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-sec-butyl-acetamide Formula: C23H30N2O5S MolecularWeight: 446.5597

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC=CC=C1)C(=O)CN(C)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CCC(C)N(CC1=CC=CC=C1)C(=O)CN(C)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C23H30N2O5S/c1-4-18(2)25(16-19-9-6-5-7-10-19)23(26)17-24(3)31(27,28)20-11-12-21-22(15-20)30-14-8-13-29-21/h5-7,9-12,15,18H,4,8,13-14,16-17H2,1-3H3