N-[1-(4-methoxyphenyl)propyl]-2-nitro-4-piperidin-1-ylsulfonyl-aniline

Systemtic Name: N-[1-(4-methoxyphenyl)propyl]-2-nitro-4-piperidin-1-ylsulfonyl-aniline Openeye Name: N-[1-(4-methoxyphenyl)propyl]-2-nitro-4-(1-piperidylsulfonyl)aniline CAS Name: N-[1-(4-methoxyphenyl)propyl]-2-nitro-4-(1-piperidinylsulfonyl)aniline IUPAC Name: N-[1-(4-methoxyphenyl)propyl]-2-nitro-4-piperidin-1-ylsulfonylaniline Traditional Name: 1-(4-methoxyphenyl)propyl-(2-nitro-4-piperidinosulfonyl-phenyl)amine Formula: C21H27N3O5S MolecularWeight: 433.52118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)OC)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCC(C1=CC=C(C=C1)OC)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H27N3O5S/c1-3-19(16-7-9-17(29-2)10-8-16)22-20-12-11-18(15-21(20)24(25)26)30(27,28)23-13-5-4-6-14-23/h7-12,15,19,22H,3-6,13-14H2,1-2H3