1-[5-[(4-chlorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-4-naphthalen-2-ylsulfonyl-1,4-diazepane

Systemtic Name: 1-[5-[(4-chlorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-4-naphthalen-2-ylsulfonyl-1,4-diazepane Openeye Name: 1-[5-[(4-chlorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-4-(2-naphthylsulfonyl)-1,4-diazepane CAS Name: 1-[5-[(4-chlorophenyl)methyl]-2,6-dimethyl-4-pyrimidinyl]-4-(2-naphthalenylsulfonyl)-1,4-diazepane IUPAC Name: 1-[5-[(4-chlorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]-4-naphthalen-2-ylsulfonyl-1,4-diazepane Traditional Name: 1-[5-(4-chlorobenzyl)-2,6-dimethyl-pyrimidin-4-yl]-4-(2-naphthylsulfonyl)-1,4-diazepane Formula: C28H29ClN4O2S MolecularWeight: 521.07346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)CC5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C28H29ClN4O2S/c1-20-27(18-22-8-11-25(29)12-9-22)28(31-21(2)30-20)32-14-5-15-33(17-16-32)36(34,35)26-13-10-23-6-3-4-7-24(23)19-26/h3-4,6-13,19H,5,14-18H2,1-2H3