[5-(3-aminophenyl)sulfanyl-2-nitro-4-piperidin-1-yl-phenyl]-piperazin-1-yl-methanone

Systemtic Name: [5-(3-aminophenyl)sulfanyl-2-nitro-4-piperidin-1-yl-phenyl]-piperazin-1-yl-methanone Openeye Name: [5-(3-aminophenyl)sulfanyl-2-nitro-4-(1-piperidyl)phenyl]-piperazin-1-yl-methanone CAS Name: [5-[(3-aminophenyl)thio]-2-nitro-4-(1-piperidinyl)phenyl]-(1-piperazinyl)methanone IUPAC Name: [5-(3-aminophenyl)sulfanyl-2-nitro-4-piperidin-1-ylphenyl]-piperazin-1-ylmethanone Traditional Name: [5-[(3-aminophenyl)thio]-2-nitro-4-piperidino-phenyl]-piperazino-methanone Formula: C22H27N5O3S MolecularWeight: 441.54648

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C(=C2)[N+](=O)[O-])C(=O)N3CCNCC3)SC4=CC=CC(=C4)N

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C(=C2)[N+](=O)[O-])C(=O)N3CCNCC3)SC4=CC=CC(=C4)N

InChI

InChI=1S/C22H27N5O3S/c23-16-5-4-6-17(13-16)31-21-14-18(22(28)26-11-7-24-8-12-26)19(27(29)30)15-20(21)25-9-2-1-3-10-25/h4-6,13-15,24H,1-3,7-12,23H2