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

Systemtic Name: [4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone Openeye Name: [4-(p-tolylmethyl)-1,4-diazepan-1-yl]-(5-pyrrolidin-1-ylsulfonyl-2-furyl)methanone CAS Name: [4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-[5-(1-pyrrolidinylsulfonyl)-2-furanyl]methanone IUPAC Name: [4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone Traditional Name: [4-(4-methylbenzyl)-1,4-diazepan-1-yl]-(5-pyrrolidinosulfonyl-2-furyl)methanone Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC=C(O3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC=C(O3)S(=O)(=O)N4CCCC4

InChI

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