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

Systemtic Name: N-[(E)-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methylideneamino]-3-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[(E)-(1-isobutyl-2,5-dimethyl-pyrrol-3-yl)methyleneamino]-3-morpholinosulfonyl-benzamide CAS Name: N-[(E)-[2,5-dimethyl-1-(2-methylpropyl)-3-pyrrolyl]methylideneamino]-3-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[(E)-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[(E)-(1-isobutyl-2,5-dimethyl-pyrrol-3-yl)methyleneamino]-3-morpholinosulfonyl-benzamide Formula: C22H30N4O4S MolecularWeight: 446.563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC(C)C)C)C=NNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=CC(=C(N1CC(C)C)C)/C=N/NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C22H30N4O4S/c1-16(2)15-26-17(3)12-20(18(26)4)14-23-24-22(27)19-6-5-7-21(13-19)31(28,29)25-8-10-30-11-9-25/h5-7,12-14,16H,8-11,15H2,1-4H3,(H,24,27)/b23-14+