(3R,4R)-1-(4-methylphenyl)sulfonyl-3-[(phenylmethyl)amino]azepan-4-ol

Systemtic Name: (3R,4R)-1-(4-methylphenyl)sulfonyl-3-[(phenylmethyl)amino]azepan-4-ol Openeye Name: (3R,4R)-3-(benzylamino)-1-(p-tolylsulfonyl)azepan-4-ol CAS Name: (3R,4R)-1-(4-methylphenyl)sulfonyl-3-[(phenylmethyl)amino]-4-azepanol IUPAC Name: (3R,4R)-3-(benzylamino)-1-(4-methylphenyl)sulfonylazepan-4-ol Traditional Name: (3R,4R)-3-(benzylamino)-1-tosyl-azepan-4-ol Formula: C20H26N2O3S MolecularWeight: 374.49704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C(C2)NCC3=CC=CC=C3)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]([C@@H](C2)NCC3=CC=CC=C3)O

InChI

InChI=1S/C20H26N2O3S/c1-16-9-11-18(12-10-16)26(24,25)22-13-5-8-20(23)19(15-22)21-14-17-6-3-2-4-7-17/h2-4,6-7,9-12,19-21,23H,5,8,13-15H2,1H3/t19-,20-/m1/s1