1-methyl-5-(4-morpholin-4-ylsulfonylphenyl)pyrrole-2-carbonitrile

Systemtic Name: 1-methyl-5-(4-morpholin-4-ylsulfonylphenyl)pyrrole-2-carbonitrile Openeye Name: 1-methyl-5-(4-morpholinosulfonylphenyl)pyrrole-2-carbonitrile CAS Name: 1-methyl-5-[4-(4-morpholinylsulfonyl)phenyl]-2-pyrrolecarbonitrile IUPAC Name: 1-methyl-5-(4-morpholin-4-ylsulfonylphenyl)pyrrole-2-carbonitrile Traditional Name: 1-methyl-5-(4-morpholinosulfonylphenyl)pyrrole-2-carbonitrile Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=C1C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C#N

Isomeric SMILES

CN1C(=CC=C1C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C#N

InChI

InChI=1S/C16H17N3O3S/c1-18-14(12-17)4-7-16(18)13-2-5-15(6-3-13)23(20,21)19-8-10-22-11-9-19/h2-7H,8-11H2,1H3