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

Systemtic Name: 1-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-4-naphthalen-1-ylsulfonyl-1,4-diazepane Openeye Name: 1-[2,6-dimethyl-5-(p-tolylmethyl)pyrimidin-4-yl]-4-(1-naphthylsulfonyl)-1,4-diazepane CAS Name: 1-[2,6-dimethyl-5-[(4-methylphenyl)methyl]-4-pyrimidinyl]-4-(1-naphthalenylsulfonyl)-1,4-diazepane IUPAC Name: 1-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-4-naphthalen-1-ylsulfonyl-1,4-diazepane Traditional Name: 1-[2,6-dimethyl-5-(4-methylbenzyl)pyrimidin-4-yl]-4-(1-naphthylsulfonyl)-1,4-diazepane Formula: C29H32N4O2S MolecularWeight: 500.65498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=C(N=C(N=C2N3CCCN(CC3)S(=O)(=O)C4=CC=CC5=CC=CC=C54)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CC2=C(N=C(N=C2N3CCCN(CC3)S(=O)(=O)C4=CC=CC5=CC=CC=C54)C)C

InChI

InChI=1S/C29H32N4O2S/c1-21-12-14-24(15-13-21)20-27-22(2)30-23(3)31-29(27)32-16-7-17-33(19-18-32)36(34,35)28-11-6-9-25-8-4-5-10-26(25)28/h4-6,8-15H,7,16-20H2,1-3H3