4-[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]-3-nitro-benzenesulfonamide Openeye Name: 4-[ethyl-[[3-methoxy-4-(2-thienylmethoxy)phenyl]methyl]amino]-3-nitro-benzenesulfonamide CAS Name: 4-[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]-3-nitrobenzenesulfonamide IUPAC Name: 4-[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]-3-nitrobenzenesulfonamide Traditional Name: 4-[ethyl-[3-methoxy-4-(2-thenyloxy)benzyl]amino]-3-nitro-benzenesulfonamide Formula: C21H23N3O6S2 MolecularWeight: 477.55382

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=C(C=C1)OCC2=CC=CS2)OC)C3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCN(CC1=CC(=C(C=C1)OCC2=CC=CS2)OC)C3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O6S2/c1-3-23(18-8-7-17(32(22,27)28)12-19(18)24(25)26)13-15-6-9-20(21(11-15)29-2)30-14-16-5-4-10-31-16/h4-12H,3,13-14H2,1-2H3,(H2,22,27,28)