1-[(4-methylsulfonylphenyl)methyl]-4-(2-naphthalen-1-ylethylsulfonyl)-1,4-diazepane

Systemtic Name: 1-[(4-methylsulfonylphenyl)methyl]-4-(2-naphthalen-1-ylethylsulfonyl)-1,4-diazepane Openeye Name: 1-[(4-methylsulfonylphenyl)methyl]-4-[2-(1-naphthyl)ethylsulfonyl]-1,4-diazepane CAS Name: 1-[(4-methylsulfonylphenyl)methyl]-4-[2-(1-naphthalenyl)ethylsulfonyl]-1,4-diazepane IUPAC Name: 1-[(4-methylsulfonylphenyl)methyl]-4-(2-naphthalen-1-ylethylsulfonyl)-1,4-diazepane Traditional Name: 1-(4-mesylbenzyl)-4-[2-(1-naphthyl)ethylsulfonyl]-1,4-diazepane Formula: C25H30N2O4S2 MolecularWeight: 486.6467

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)S(=O)(=O)CCC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)S(=O)(=O)CCC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C25H30N2O4S2/c1-32(28,29)24-12-10-21(11-13-24)20-26-15-5-16-27(18-17-26)33(30,31)19-14-23-8-4-7-22-6-2-3-9-25(22)23/h2-4,6-13H,5,14-20H2,1H3