[4-(2,5-dimethylpyrrol-1-yl)phenyl]-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone

Systemtic Name: [4-(2,5-dimethylpyrrol-1-yl)phenyl]-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone Openeye Name: [4-(2,5-dimethylpyrrol-1-yl)phenyl]-[4-(2-naphthylsulfonyl)piperazin-1-yl]methanone CAS Name: [4-(2,5-dimethyl-1-pyrrolyl)phenyl]-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]methanone IUPAC Name: [4-(2,5-dimethylpyrrol-1-yl)phenyl]-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone Traditional Name: [4-(2,5-dimethylpyrrol-1-yl)phenyl]-[4-(2-naphthylsulfonyl)piperazino]methanone Formula: C27H27N3O3S MolecularWeight: 473.58658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4)C

InChI

InChI=1S/C27H27N3O3S/c1-20-7-8-21(2)30(20)25-12-9-23(10-13-25)27(31)28-15-17-29(18-16-28)34(32,33)26-14-11-22-5-3-4-6-24(22)19-26/h3-14,19H,15-18H2,1-2H3