1-azanyl-4-[(3-chlorophenyl)amino]-2-ethylsulfonyl-anthracene-9,10-dione

Systemtic Name: 1-azanyl-4-[(3-chlorophenyl)amino]-2-ethylsulfonyl-anthracene-9,10-dione Openeye Name: 1-amino-4-(3-chloroanilino)-2-ethylsulfonyl-anthracene-9,10-dione CAS Name: 1-amino-4-(3-chloroanilino)-2-ethylsulfonylanthracene-9,10-dione IUPAC Name: 1-amino-4-(3-chloroanilino)-2-ethylsulfonylanthracene-9,10-dione Traditional Name: 1-amino-4-(3-chloroanilino)-2-esyl-9,10-anthraquinone Formula: C22H17ClN2O4S MolecularWeight: 440.89938

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=C(C2=C(C(=C1)NC3=CC(=CC=C3)Cl)C(=O)C4=CC=CC=C4C2=O)N

Isomeric SMILES

CCS(=O)(=O)C1=C(C2=C(C(=C1)NC3=CC(=CC=C3)Cl)C(=O)C4=CC=CC=C4C2=O)N

InChI

InChI=1S/C22H17ClN2O4S/c1-2-30(28,29)17-11-16(25-13-7-5-6-12(23)10-13)18-19(20(17)24)22(27)15-9-4-3-8-14(15)21(18)26/h3-11,25H,2,24H2,1H3