(4-pyrrol-1-ylphenyl)-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]methanone

Systemtic Name: (4-pyrrol-1-ylphenyl)-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]methanone Openeye Name: (4-pyrrol-1-ylphenyl)-(4-tetralin-6-ylsulfonylpiperazin-1-yl)methanone CAS Name: [4-(1-pyrrolyl)phenyl]-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1-piperazinyl]methanone IUPAC Name: (4-pyrrol-1-ylphenyl)-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]methanone Traditional Name: (4-pyrrol-1-ylphenyl)-(4-tetralin-6-ylsulfonylpiperazino)methanone Formula: C25H27N3O3S MolecularWeight: 449.56518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4=CC=C(C=C4)N5C=CC=C5

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4=CC=C(C=C4)N5C=CC=C5

InChI

InChI=1S/C25H27N3O3S/c29-25(21-7-10-23(11-8-21)26-13-3-4-14-26)27-15-17-28(18-16-27)32(30,31)24-12-9-20-5-1-2-6-22(20)19-24/h3-4,7-14,19H,1-2,5-6,15-18H2