1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-3-naphthalen-1-yl-prop-2-yn-1-one

Systemtic Name: 1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-3-naphthalen-1-yl-prop-2-yn-1-one Openeye Name: 1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-3-(1-naphthyl)prop-2-yn-1-one CAS Name: 1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-3-(1-naphthalenyl)-2-propyn-1-one IUPAC Name: 1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-3-naphthalen-1-ylprop-2-yn-1-one Traditional Name: 1-[4-(4-mesylbenzyl)-1,4-diazepan-1-yl]-3-(1-naphthyl)prop-2-yn-1-one Formula: C26H26N2O3S MolecularWeight: 446.56124

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C#CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C#CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C26H26N2O3S/c1-32(30,31)24-13-10-21(11-14-24)20-27-16-5-17-28(19-18-27)26(29)15-12-23-8-4-7-22-6-2-3-9-25(22)23/h2-4,6-11,13-14H,5,16-20H2,1H3