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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)S(=O)(=O)C3=CC=CC4=CC=CC=C43)CC5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)S(=O)(=O)C3=CC=CC4=CC=CC=C43)CC5=CC=C(C=C5)Cl

InChI

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