1-(4-methylphenyl)sulfonyl-4-(thiophen-3-ylmethyl)-1,4-diazepane

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-(thiophen-3-ylmethyl)-1,4-diazepane Openeye Name: 1-(p-tolylsulfonyl)-4-(3-thienylmethyl)-1,4-diazepane CAS Name: 1-(4-methylphenyl)sulfonyl-4-(3-thiophenylmethyl)-1,4-diazepane IUPAC Name: 1-(4-methylphenyl)sulfonyl-4-(thiophen-3-ylmethyl)-1,4-diazepane Traditional Name: 1-(3-thenyl)-4-tosyl-1,4-diazepane Formula: C17H22N2O2S2 MolecularWeight: 350.49878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=CSC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=CSC=C3

InChI

InChI=1S/C17H22N2O2S2/c1-15-3-5-17(6-4-15)23(20,21)19-9-2-8-18(10-11-19)13-16-7-12-22-14-16/h3-7,12,14H,2,8-11,13H2,1H3