[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-(5-piperidin-1-ylsulfonylfuran-2-yl)methanone

Systemtic Name: [4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-(5-piperidin-1-ylsulfonylfuran-2-yl)methanone Openeye Name: [5-(1-piperidylsulfonyl)-2-furyl]-[4-(p-tolylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: [4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-[5-(1-piperidinylsulfonyl)-2-furanyl]methanone IUPAC Name: [4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-(5-piperidin-1-ylsulfonylfuran-2-yl)methanone Traditional Name: [4-(4-methylbenzyl)-1,4-diazepan-1-yl]-(5-piperidinosulfonyl-2-furyl)methanone Formula: C23H31N3O4S MolecularWeight: 445.57494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC=C(O3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC=C(O3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C23H31N3O4S/c1-19-6-8-20(9-7-19)18-24-12-5-13-25(17-16-24)23(27)21-10-11-22(30-21)31(28,29)26-14-3-2-4-15-26/h6-11H,2-5,12-18H2,1H3