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

Systemtic Name: (R)-[1-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperidin-4-yl]-phenyl-methanol Openeye Name: (R)-[1-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-4-piperidyl]-phenyl-methanol CAS Name: (R)-[1-[4-(1-azepanylsulfonyl)-2-nitrophenyl]-4-piperidinyl]-phenylmethanol IUPAC Name: (R)-[1-[4-(azepan-1-ylsulfonyl)-2-nitrophenyl]piperidin-4-yl]-phenylmethanol Traditional Name: (R)-[1-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-4-piperidyl]-phenyl-methanol Formula: C24H31N3O5S MolecularWeight: 473.58504

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCC(CC3)C(C4=CC=CC=C4)O)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCC(CC3)[C@H](C4=CC=CC=C4)O)[N+](=O)[O-]

InChI

InChI=1S/C24H31N3O5S/c28-24(19-8-4-3-5-9-19)20-12-16-25(17-13-20)22-11-10-21(18-23(22)27(29)30)33(31,32)26-14-6-1-2-7-15-26/h3-5,8-11,18,20,24,28H,1-2,6-7,12-17H2/t24-/m0/s1