N-[(4-nitrophenyl)methyl]-5-piperidin-1-ylsulfonyl-2-propan-2-yloxy-aniline

Systemtic Name: N-[(4-nitrophenyl)methyl]-5-piperidin-1-ylsulfonyl-2-propan-2-yloxy-aniline Openeye Name: 2-isopropoxy-N-[(4-nitrophenyl)methyl]-5-(1-piperidylsulfonyl)aniline CAS Name: N-[(4-nitrophenyl)methyl]-5-(1-piperidinylsulfonyl)-2-propan-2-yloxyaniline IUPAC Name: N-[(4-nitrophenyl)methyl]-5-piperidin-1-ylsulfonyl-2-propan-2-yloxyaniline Traditional Name: (2-isopropoxy-5-piperidinosulfonyl-phenyl)-(4-nitrobenzyl)amine Formula: C21H27N3O5S MolecularWeight: 433.52118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H27N3O5S/c1-16(2)29-21-11-10-19(30(27,28)23-12-4-3-5-13-23)14-20(21)22-15-17-6-8-18(9-7-17)24(25)26/h6-11,14,16,22H,3-5,12-13,15H2,1-2H3