N-[(E)-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-3-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-[(E)-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-3-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[(E)-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-3-morpholinosulfonyl-benzamide CAS Name: N-[(E)-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]-3-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[(E)-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[(E)-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-3-morpholinosulfonyl-benzamide Formula: C21H28N4O5S MolecularWeight: 448.53582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCOC)C)C=NNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=CC(=C(N1CCOC)C)/C=N/NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H28N4O5S/c1-16-13-19(17(2)25(16)9-10-29-3)15-22-23-21(26)18-5-4-6-20(14-18)31(27,28)24-7-11-30-12-8-24/h4-6,13-15H,7-12H2,1-3H3,(H,23,26)/b22-15+