[2-(1-methylpyrrol-2-yl)azepan-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone

Systemtic Name: [2-(1-methylpyrrol-2-yl)azepan-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone Openeye Name: [2-(1-methylpyrrol-2-yl)azepan-1-yl]-(4-morpholinosulfonylphenyl)methanone CAS Name: [2-(1-methyl-2-pyrrolyl)-1-azepanyl]-[4-(4-morpholinylsulfonyl)phenyl]methanone IUPAC Name: [2-(1-methylpyrrol-2-yl)azepan-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone Traditional Name: [2-(1-methylpyrrol-2-yl)azepan-1-yl]-(4-morpholinosulfonylphenyl)methanone Formula: C22H29N3O4S MolecularWeight: 431.54836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCCCCN2C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CN1C=CC=C1C2CCCCCN2C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H29N3O4S/c1-23-12-5-7-20(23)21-6-3-2-4-13-25(21)22(26)18-8-10-19(11-9-18)30(27,28)24-14-16-29-17-15-24/h5,7-12,21H,2-4,6,13-17H2,1H3