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

Systemtic Name: 1-[(E)-[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]methylideneamino]urea Openeye Name: [(E)-[2,5-dimethyl-1-(3-morpholinosulfonylphenyl)pyrrol-3-yl]methyleneamino]urea CAS Name: [(E)-[2,5-dimethyl-1-[3-(4-morpholinylsulfonyl)phenyl]-3-pyrrolyl]methylideneamino]urea IUPAC Name: [(E)-[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]methylideneamino]urea Traditional Name: [(E)-[2,5-dimethyl-1-(3-morpholinosulfonylphenyl)pyrrol-3-yl]methyleneamino]urea Formula: C18H23N5O4S MolecularWeight: 405.47132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O4S/c1-13-10-15(12-20-21-18(19)24)14(2)23(13)16-4-3-5-17(11-16)28(25,26)22-6-8-27-9-7-22/h3-5,10-12H,6-9H2,1-2H3,(H3,19,21,24)/b20-12+