3-azanyl-4-[3-[2-(phenylsulfonylmethyl)phenoxy]propylamino]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-azanyl-4-[3-[2-(phenylsulfonylmethyl)phenoxy]propylamino]cyclobut-3-ene-1,2-dione Openeye Name: 3-amino-4-[3-[2-(benzenesulfonylmethyl)phenoxy]propylamino]cyclobut-3-ene-1,2-dione CAS Name: 3-amino-4-[3-[2-(benzenesulfonylmethyl)phenoxy]propylamino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-amino-4-[3-[2-(benzenesulfonylmethyl)phenoxy]propylamino]cyclobut-3-ene-1,2-dione Traditional Name: 3-amino-4-[3-[2-(besylmethyl)phenoxy]propylamino]cyclobut-3-ene-1,2-quinone Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CC2=CC=CC=C2OCCCNC3=C(C(=O)C3=O)N

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CC2=CC=CC=C2OCCCNC3=C(C(=O)C3=O)N

InChI

InChI=1S/C20H20N2O5S/c21-17-18(20(24)19(17)23)22-11-6-12-27-16-10-5-4-7-14(16)13-28(25,26)15-8-2-1-3-9-15/h1-5,7-10,22H,6,11-13,21H2