1-[(E)-[2,5-dimethyl-1-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)pyrrol-3-yl]methylideneamino]urea

Systemtic Name: 1-[(E)-[2,5-dimethyl-1-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)pyrrol-3-yl]methylideneamino]urea Openeye Name: [(E)-[2,5-dimethyl-1-(5-morpholinosulfonyl-2-pyrrolidin-1-yl-phenyl)pyrrol-3-yl]methyleneamino]urea CAS Name: [(E)-[2,5-dimethyl-1-[5-(4-morpholinylsulfonyl)-2-(1-pyrrolidinyl)phenyl]-3-pyrrolyl]methylideneamino]urea IUPAC Name: [(E)-[2,5-dimethyl-1-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)pyrrol-3-yl]methylideneamino]urea Traditional Name: [(E)-[2,5-dimethyl-1-(5-morpholinosulfonyl-2-pyrrolidino-phenyl)pyrrol-3-yl]methyleneamino]urea Formula: C22H30N6O4S MolecularWeight: 474.5764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4)C)C=NNC(=O)N

Isomeric SMILES

CC1=CC(=C(N1C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4)C)/C=N/NC(=O)N

InChI

InChI=1S/C22H30N6O4S/c1-16-13-18(15-24-25-22(23)29)17(2)28(16)21-14-19(5-6-20(21)26-7-3-4-8-26)33(30,31)27-9-11-32-12-10-27/h5-6,13-15H,3-4,7-12H2,1-2H3,(H3,23,25,29)/b24-15+