[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(2-methyl-5-pyrrolidin-1-ylsulfonyl-phenyl)methanone

Systemtic Name: [4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(2-methyl-5-pyrrolidin-1-ylsulfonyl-phenyl)methanone Openeye Name: [4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(2-methyl-5-pyrrolidin-1-ylsulfonyl-phenyl)methanone CAS Name: [4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-[2-methyl-5-(1-pyrrolidinylsulfonyl)phenyl]methanone IUPAC Name: [4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(2-methyl-5-pyrrolidin-1-ylsulfonylphenyl)methanone Traditional Name: [4-(4-fluorobenzyl)-1,4-diazepan-1-yl]-(2-methyl-5-pyrrolidinosulfonyl-phenyl)methanone Formula: C24H30FN3O3S MolecularWeight: 459.576703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)N3CCCN(CC3)CC4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)N3CCCN(CC3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C24H30FN3O3S/c1-19-5-10-22(32(30,31)28-13-2-3-14-28)17-23(19)24(29)27-12-4-11-26(15-16-27)18-20-6-8-21(25)9-7-20/h5-10,17H,2-4,11-16,18H2,1H3