(1R)-2-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)amino]-1-phenyl-ethanol

Systemtic Name: (1R)-2-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)amino]-1-phenyl-ethanol Openeye Name: (1R)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-anilino)-1-phenyl-ethanol CAS Name: (1R)-2-[2-nitro-4-(1-pyrrolidinylsulfonyl)anilino]-1-phenylethanol IUPAC Name: (1R)-2-(2-nitro-4-pyrrolidin-1-ylsulfonylanilino)-1-phenylethanol Traditional Name: (1R)-2-(2-nitro-4-pyrrolidinosulfonyl-anilino)-1-phenyl-ethanol Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCC(C3=CC=CC=C3)O)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NC[C@@H](C3=CC=CC=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O5S/c22-18(14-6-2-1-3-7-14)13-19-16-9-8-15(12-17(16)21(23)24)27(25,26)20-10-4-5-11-20/h1-3,6-9,12,18-19,22H,4-5,10-11,13H2/t18-/m0/s1