3-butoxy-4-[1-(phenylsulfonyl)propylamino]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-butoxy-4-[1-(phenylsulfonyl)propylamino]cyclobut-3-ene-1,2-dione Openeye Name: 3-[1-(benzenesulfonyl)propylamino]-4-butoxy-cyclobut-3-ene-1,2-dione CAS Name: 3-[1-(benzenesulfonyl)propylamino]-4-butoxycyclobut-3-ene-1,2-dione IUPAC Name: 3-[1-(benzenesulfonyl)propylamino]-4-butoxycyclobut-3-ene-1,2-dione Traditional Name: 3-(1-besylpropylamino)-4-butoxy-cyclobut-3-ene-1,2-quinone Formula: C17H21NO5S MolecularWeight: 351.41734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C(=O)C1=O)NC(CC)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCOC1=C(C(=O)C1=O)NC(CC)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H21NO5S/c1-3-5-11-23-17-14(15(19)16(17)20)18-13(4-2)24(21,22)12-9-7-6-8-10-12/h6-10,13,18H,3-5,11H2,1-2H3