3,4-bis(chloranyl)-N-[(4S)-1-(4-ethanoylpiperazin-1-yl)-6-methyl-3-oxidanyl-heptan-4-yl]benzamide

Systemtic Name: 3,4-bis(chloranyl)-N-[(4S)-1-(4-ethanoylpiperazin-1-yl)-6-methyl-3-oxidanyl-heptan-4-yl]benzamide Openeye Name: N-[(1S)-4-(4-acetylpiperazin-1-yl)-2-hydroxy-1-isobutyl-butyl]-3,4-dichloro-benzamide CAS Name: N-[(4S)-1-(4-acetyl-1-piperazinyl)-3-hydroxy-6-methylheptan-4-yl]-3,4-dichlorobenzamide IUPAC Name: N-[(4S)-1-(4-acetylpiperazin-1-yl)-3-hydroxy-6-methylheptan-4-yl]-3,4-dichlorobenzamide Traditional Name: N-[(1S)-4-(4-acetylpiperazino)-2-hydroxy-1-isobutyl-butyl]-3,4-dichloro-benzamide Formula: C21H31Cl2N3O3 MolecularWeight: 444.39514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CCN1CCN(CC1)C(=O)C)O)NC(=O)C2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

CC(C)C[C@@H](C(CCN1CCN(CC1)C(=O)C)O)NC(=O)C2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C21H31Cl2N3O3/c1-14(2)12-19(24-21(29)16-4-5-17(22)18(23)13-16)20(28)6-7-25-8-10-26(11-9-25)15(3)27/h4-5,13-14,19-20,28H,6-12H2,1-3H3,(H,24,29)/t19-,20?/m0/s1