azepan-1-yl-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-1,2,5-trimethyl-pyrrol-3-yl]methanone

Systemtic Name: azepan-1-yl-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-1,2,5-trimethyl-pyrrol-3-yl]methanone Openeye Name: azepan-1-yl-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-1,2,5-trimethyl-pyrrol-3-yl]methanone CAS Name: 1-azepanyl-[4-[[4-(2-fluorophenyl)-1-piperazinyl]sulfonyl]-1,2,5-trimethyl-3-pyrrolyl]methanone IUPAC Name: azepan-1-yl-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-1,2,5-trimethylpyrrol-3-yl]methanone Traditional Name: azepan-1-yl-[4-[4-(2-fluorophenyl)piperazino]sulfonyl-1,2,5-trimethyl-pyrrol-3-yl]methanone Formula: C24H33FN4O3S MolecularWeight: 476.607223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1C)C)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3F)C(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C(=C(N1C)C)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3F)C(=O)N4CCCCCC4

InChI

InChI=1S/C24H33FN4O3S/c1-18-22(24(30)28-12-8-4-5-9-13-28)23(19(2)26(18)3)33(31,32)29-16-14-27(15-17-29)21-11-7-6-10-20(21)25/h6-7,10-11H,4-5,8-9,12-17H2,1-3H3