4-[[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]benzenesulfonamide

Systemtic Name: 4-[[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]benzenesulfonamide Openeye Name: 4-[[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]benzenesulfonamide CAS Name: 4-[[1-(4-ethoxyphenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]benzenesulfonamide IUPAC Name: 4-[[1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]benzenesulfonamide Traditional Name: 4-[(2,5-dimethyl-1-p-phenetyl-pyrrol-3-yl)methyleneamino]benzenesulfonamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=CC(=C2C)C=NC3=CC=C(C=C3)S(=O)(=O)N)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=CC(=C2C)C=NC3=CC=C(C=C3)S(=O)(=O)N)C

InChI

InChI=1S/C21H23N3O3S/c1-4-27-20-9-7-19(8-10-20)24-15(2)13-17(16(24)3)14-23-18-5-11-21(12-6-18)28(22,25)26/h5-14H,4H2,1-3H3,(H2,22,25,26)