[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-(2-methoxycarbonylthiophen-3-yl)sulfonyl-azanide

Systemtic Name: [3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-(2-methoxycarbonylthiophen-3-yl)sulfonyl-azanide Openeye Name: [3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-[(2-methoxycarbonyl-3-thienyl)sulfonyl]azanide CAS Name: [3-(1-azepanylsulfonyl)-4-methylphenyl]-[(2-methoxycarbonyl-3-thiophenyl)sulfonyl]azanide IUPAC Name: [3-(azepan-1-ylsulfonyl)-4-methylphenyl]-(2-methoxycarbonylthiophen-3-yl)sulfonylazanide Traditional Name: [3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-[(2-carbomethoxy-3-thienyl)sulfonyl]azanide Formula: C19H23N2O6S3- MolecularWeight: 471.59072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N-]S(=O)(=O)C2=C(SC=C2)C(=O)OC)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)[N-]S(=O)(=O)C2=C(SC=C2)C(=O)OC)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C19H23N2O6S3/c1-14-7-8-15(13-17(14)30(25,26)21-10-5-3-4-6-11-21)20-29(23,24)16-9-12-28-18(16)19(22)27-2/h7-9,12-13H,3-6,10-11H2,1-2H3/q-1