2-azanyl-1-butylsulfonyl-5-(phenylcarbonyl)-4-(3,4,5-trimethoxyphenyl)pyrrole-3-carbonitrile

Systemtic Name: 2-azanyl-1-butylsulfonyl-5-(phenylcarbonyl)-4-(3,4,5-trimethoxyphenyl)pyrrole-3-carbonitrile Openeye Name: 2-amino-5-benzoyl-1-butylsulfonyl-4-(3,4,5-trimethoxyphenyl)pyrrole-3-carbonitrile CAS Name: 2-amino-5-benzoyl-1-butylsulfonyl-4-(3,4,5-trimethoxyphenyl)-3-pyrrolecarbonitrile IUPAC Name: 2-amino-5-benzoyl-1-butylsulfonyl-4-(3,4,5-trimethoxyphenyl)pyrrole-3-carbonitrile Traditional Name: 2-amino-5-benzoyl-1-butylsulfonyl-4-(3,4,5-trimethoxyphenyl)pyrrole-3-carbonitrile Formula: C25H27N3O6S MolecularWeight: 497.56338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)N1C(=C(C(=C1N)C#N)C2=CC(=C(C(=C2)OC)OC)OC)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCS(=O)(=O)N1C(=C(C(=C1N)C#N)C2=CC(=C(C(=C2)OC)OC)OC)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H27N3O6S/c1-5-6-12-35(30,31)28-22(23(29)16-10-8-7-9-11-16)21(18(15-26)25(28)27)17-13-19(32-2)24(34-4)20(14-17)33-3/h7-11,13-14H,5-6,12,27H2,1-4H3