N-[4,5-dimethyl-3-(phenylsulfonyl)-1-propyl-pyrrol-2-yl]pyridine-4-carboxamide

Systemtic Name: N-[4,5-dimethyl-3-(phenylsulfonyl)-1-propyl-pyrrol-2-yl]pyridine-4-carboxamide Openeye Name: N-[3-(benzenesulfonyl)-4,5-dimethyl-1-propyl-pyrrol-2-yl]pyridine-4-carboxamide CAS Name: N-[3-(benzenesulfonyl)-4,5-dimethyl-1-propyl-2-pyrrolyl]-4-pyridinecarboxamide IUPAC Name: N-[3-(benzenesulfonyl)-4,5-dimethyl-1-propylpyrrol-2-yl]pyridine-4-carboxamide Traditional Name: N-(3-besyl-4,5-dimethyl-1-propyl-pyrrol-2-yl)isonicotinamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=C1NC(=O)C2=CC=NC=C2)S(=O)(=O)C3=CC=CC=C3)C)C

Isomeric SMILES

CCCN1C(=C(C(=C1NC(=O)C2=CC=NC=C2)S(=O)(=O)C3=CC=CC=C3)C)C

InChI

InChI=1S/C21H23N3O3S/c1-4-14-24-16(3)15(2)19(28(26,27)18-8-6-5-7-9-18)20(24)23-21(25)17-10-12-22-13-11-17/h5-13H,4,14H2,1-3H3,(H,23,25)