1-(5-chloranyl-2-methoxy-phenyl)sulfonyl-4-(thiophen-3-ylmethyl)-1,4-diazepane

Systemtic Name: 1-(5-chloranyl-2-methoxy-phenyl)sulfonyl-4-(thiophen-3-ylmethyl)-1,4-diazepane Openeye Name: 1-(5-chloro-2-methoxy-phenyl)sulfonyl-4-(3-thienylmethyl)-1,4-diazepane CAS Name: 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(3-thiophenylmethyl)-1,4-diazepane IUPAC Name: 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(thiophen-3-ylmethyl)-1,4-diazepane Traditional Name: 1-(5-chloro-2-methoxy-phenyl)sulfonyl-4-(3-thenyl)-1,4-diazepane Formula: C17H21ClN2O3S2 MolecularWeight: 400.94324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCCN(CC2)CC3=CSC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCCN(CC2)CC3=CSC=C3

InChI

InChI=1S/C17H21ClN2O3S2/c1-23-16-4-3-15(18)11-17(16)25(21,22)20-7-2-6-19(8-9-20)12-14-5-10-24-13-14/h3-5,10-11,13H,2,6-9,12H2,1H3