N-[(3R)-1-[(3-azido-4-propan-2-yloxy-phenyl)methyl]pyrrolidin-3-yl]-4-ethynyl-benzenesulfonamide

Systemtic Name: N-[(3R)-1-[(3-azido-4-propan-2-yloxy-phenyl)methyl]pyrrolidin-3-yl]-4-ethynyl-benzenesulfonamide Openeye Name: N-[(3R)-1-[(3-azido-4-isopropoxy-phenyl)methyl]pyrrolidin-3-yl]-4-ethynyl-benzenesulfonamide CAS Name: N-[(3R)-1-[(3-azido-4-propan-2-yloxyphenyl)methyl]-3-pyrrolidinyl]-4-ethynylbenzenesulfonamide IUPAC Name: N-[(3R)-1-[(3-azido-4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]-4-ethynylbenzenesulfonamide Traditional Name: N-[(3R)-1-(3-azido-4-isopropoxy-benzyl)pyrrolidin-3-yl]-4-ethynyl-benzenesulfonamide Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)CN2CCC(C2)NS(=O)(=O)C3=CC=C(C=C3)C#C)N=[N+]=[N-]

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)CN2CC[C@H](C2)NS(=O)(=O)C3=CC=C(C=C3)C#C)N=[N+]=[N-]

InChI

InChI=1S/C22H25N5O3S/c1-4-17-5-8-20(9-6-17)31(28,29)25-19-11-12-27(15-19)14-18-7-10-22(30-16(2)3)21(13-18)24-26-23/h1,5-10,13,16,19,25H,11-12,14-15H2,2-3H3/t19-/m1/s1