N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methyl-5-nitro-benzenesulfonamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-methyl-5-nitro-benzenesulfonamide Formula: C16H15N3O4S2 MolecularWeight: 377.438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=C(C3=C(S2)CCCC3)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=C(C3=C(S2)CCCC3)C#N

InChI

InChI=1S/C16H15N3O4S2/c1-10-6-7-11(19(20)21)8-15(10)25(22,23)18-16-13(9-17)12-4-2-3-5-14(12)24-16/h6-8,18H,2-5H2,1H3