[4-[2-methoxy-5-(3-methylpiperidin-1-yl)sulfonyl-phenyl]piperazin-1-yl]-(5-nitrofuran-2-yl)methanone

Systemtic Name: [4-[2-methoxy-5-(3-methylpiperidin-1-yl)sulfonyl-phenyl]piperazin-1-yl]-(5-nitrofuran-2-yl)methanone Openeye Name: [4-[2-methoxy-5-[(3-methyl-1-piperidyl)sulfonyl]phenyl]piperazin-1-yl]-(5-nitro-2-furyl)methanone CAS Name: [4-[2-methoxy-5-[(3-methyl-1-piperidinyl)sulfonyl]phenyl]-1-piperazinyl]-(5-nitro-2-furanyl)methanone IUPAC Name: [4-[2-methoxy-5-(3-methylpiperidin-1-yl)sulfonylphenyl]piperazin-1-yl]-(5-nitrofuran-2-yl)methanone Traditional Name: [4-[2-methoxy-5-(3-methylpiperidino)sulfonyl-phenyl]piperazino]-(5-nitro-2-furyl)methanone Formula: C22H28N4O7S MolecularWeight: 492.54532

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC)N3CCN(CC3)C(=O)C4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC)N3CCN(CC3)C(=O)C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O7S/c1-16-4-3-9-25(15-16)34(30,31)17-5-6-19(32-2)18(14-17)23-10-12-24(13-11-23)22(27)20-7-8-21(33-20)26(28)29/h5-8,14,16H,3-4,9-13,15H2,1-2H3