4-[3-[2-(azocan-1-yl)ethanoyl]-2,5-dimethyl-pyrrol-1-yl]benzenesulfonamide

Systemtic Name: 4-[3-[2-(azocan-1-yl)ethanoyl]-2,5-dimethyl-pyrrol-1-yl]benzenesulfonamide Openeye Name: 4-[3-[2-(azocan-1-yl)acetyl]-2,5-dimethyl-pyrrol-1-yl]benzenesulfonamide CAS Name: 4-[3-[2-(1-azocanyl)-1-oxoethyl]-2,5-dimethyl-1-pyrrolyl]benzenesulfonamide IUPAC Name: 4-[3-[2-(azocan-1-yl)acetyl]-2,5-dimethylpyrrol-1-yl]benzenesulfonamide Traditional Name: 4-[3-[2-(azocan-1-yl)acetyl]-2,5-dimethyl-pyrrol-1-yl]benzenesulfonamide Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)S(=O)(=O)N)C)C(=O)CN3CCCCCCC3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)S(=O)(=O)N)C)C(=O)CN3CCCCCCC3

InChI

InChI=1S/C21H29N3O3S/c1-16-14-20(21(25)15-23-12-6-4-3-5-7-13-23)17(2)24(16)18-8-10-19(11-9-18)28(22,26)27/h8-11,14H,3-7,12-13,15H2,1-2H3,(H2,22,26,27)