N-(4-iodanyl-2-methyl-phenyl)-1-methyl-4-piperidin-1-ylsulfonyl-pyrrole-2-carboxamide

Systemtic Name: N-(4-iodanyl-2-methyl-phenyl)-1-methyl-4-piperidin-1-ylsulfonyl-pyrrole-2-carboxamide Openeye Name: N-(4-iodo-2-methyl-phenyl)-1-methyl-4-(1-piperidylsulfonyl)pyrrole-2-carboxamide CAS Name: N-(4-iodo-2-methylphenyl)-1-methyl-4-(1-piperidinylsulfonyl)-2-pyrrolecarboxamide IUPAC Name: N-(4-iodo-2-methylphenyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide Traditional Name: N-(4-iodo-2-methyl-phenyl)-1-methyl-4-piperidinosulfonyl-pyrrole-2-carboxamide Formula: C18H22IN3O3S MolecularWeight: 487.35505

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C18H22IN3O3S/c1-13-10-14(19)6-7-16(13)20-18(23)17-11-15(12-21(17)2)26(24,25)22-8-4-3-5-9-22/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,20,23)