4-(4-chloranyl-3-methyl-phenoxy)-1-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]butan-1-one

Systemtic Name: 4-(4-chloranyl-3-methyl-phenoxy)-1-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]butan-1-one Openeye Name: 4-(4-chloro-3-methyl-phenoxy)-1-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]butan-1-one CAS Name: 4-(4-chloro-3-methylphenoxy)-1-[4-[(5-nitro-2-thiophenyl)-oxomethyl]-1-piperazinyl]-1-butanone IUPAC Name: 4-(4-chloro-3-methylphenoxy)-1-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]butan-1-one Traditional Name: 4-(4-chloro-3-methyl-phenoxy)-1-[4-(5-nitrothiophene-2-carbonyl)piperazino]butan-1-one Formula: C20H22ClN3O5S MolecularWeight: 451.92378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCC(=O)N2CCN(CC2)C(=O)C3=CC=C(S3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCC(=O)N2CCN(CC2)C(=O)C3=CC=C(S3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H22ClN3O5S/c1-14-13-15(4-5-16(14)21)29-12-2-3-18(25)22-8-10-23(11-9-22)20(26)17-6-7-19(30-17)24(27)28/h4-7,13H,2-3,8-12H2,1H3