[2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl] anthracene-9-carboxylate

Systemtic Name: [2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl] anthracene-9-carboxylate Openeye Name: [2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-2-oxo-ethyl] anthracene-9-carboxylate CAS Name: 9-anthracenecarboxylic acid [2-[3-(1-azepanylsulfonyl)-4-methylanilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-2-oxoethyl] anthracene-9-carboxylate Traditional Name: anthracene-9-carboxylic acid [2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-2-keto-ethyl] ester Formula: C30H30N2O5S MolecularWeight: 530.6346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C3C=CC=CC3=CC4=CC=CC=C42)S(=O)(=O)N5CCCCCC5

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C3C=CC=CC3=CC4=CC=CC=C42)S(=O)(=O)N5CCCCCC5

InChI

InChI=1S/C30H30N2O5S/c1-21-14-15-24(19-27(21)38(35,36)32-16-8-2-3-9-17-32)31-28(33)20-37-30(34)29-25-12-6-4-10-22(25)18-23-11-5-7-13-26(23)29/h4-7,10-15,18-19H,2-3,8-9,16-17,20H2,1H3,(H,31,33)