2,3-bis(aziridin-1-yl)-5-(4-chlorophenyl)sulfonyl-naphthalene-1,4-dione

Systemtic Name: 2,3-bis(aziridin-1-yl)-5-(4-chlorophenyl)sulfonyl-naphthalene-1,4-dione Openeye Name: 2,3-bis(aziridin-1-yl)-5-(4-chlorophenyl)sulfonyl-naphthalene-1,4-dione CAS Name: 2,3-bis(1-aziridinyl)-5-(4-chlorophenyl)sulfonylnaphthalene-1,4-dione IUPAC Name: 2,3-bis(aziridin-1-yl)-5-(4-chlorophenyl)sulfonylnaphthalene-1,4-dione Traditional Name: 5-(4-chlorophenyl)sulfonyl-2,3-diethylenimino-1,4-naphthoquinone Formula: C20H15ClN2O4S MolecularWeight: 414.8621

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN1C2=C(C(=O)C3=C(C2=O)C=CC=C3S(=O)(=O)C4=CC=C(C=C4)Cl)N5CC5

Isomeric SMILES

C1CN1C2=C(C(=O)C3=C(C2=O)C=CC=C3S(=O)(=O)C4=CC=C(C=C4)Cl)N5CC5

InChI

InChI=1S/C20H15ClN2O4S/c21-12-4-6-13(7-5-12)28(26,27)15-3-1-2-14-16(15)20(25)18(23-10-11-23)17(19(14)24)22-8-9-22/h1-7H,8-11H2