1-[(4-methylsulfonylphenyl)methyl]-4-(thiophen-3-ylmethyl)-1,4-diazepane

Systemtic Name: 1-[(4-methylsulfonylphenyl)methyl]-4-(thiophen-3-ylmethyl)-1,4-diazepane Openeye Name: 1-[(4-methylsulfonylphenyl)methyl]-4-(3-thienylmethyl)-1,4-diazepane CAS Name: 1-[(4-methylsulfonylphenyl)methyl]-4-(3-thiophenylmethyl)-1,4-diazepane IUPAC Name: 1-[(4-methylsulfonylphenyl)methyl]-4-(thiophen-3-ylmethyl)-1,4-diazepane Traditional Name: 1-(4-mesylbenzyl)-4-(3-thenyl)-1,4-diazepane Formula: C18H24N2O2S2 MolecularWeight: 364.52536

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)CC3=CSC=C3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)CC3=CSC=C3

InChI

InChI=1S/C18H24N2O2S2/c1-24(21,22)18-5-3-16(4-6-18)13-19-8-2-9-20(11-10-19)14-17-7-12-23-15-17/h3-7,12,15H,2,8-11,13-14H2,1H3