(R)-[1-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperidin-4-yl]-phenyl-methanol

Systemtic Name: (R)-[1-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperidin-4-yl]-phenyl-methanol Openeye Name: (R)-[1-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)-4-piperidyl]-phenyl-methanol CAS Name: (R)-[1-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]-4-piperidinyl]-phenylmethanol IUPAC Name: (R)-[1-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)piperidin-4-yl]-phenylmethanol Traditional Name: (R)-[1-(2-nitro-4-pyrrolidinosulfonyl-phenyl)-4-piperidyl]-phenyl-methanol Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCC(CC3)C(C4=CC=CC=C4)O)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCC(CC3)[C@H](C4=CC=CC=C4)O)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O5S/c26-22(17-6-2-1-3-7-17)18-10-14-23(15-11-18)20-9-8-19(16-21(20)25(27)28)31(29,30)24-12-4-5-13-24/h1-3,6-9,16,18,22,26H,4-5,10-15H2/t22-/m0/s1