N-[[4-(methoxymethyl)phenyl]methyl]-4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-aniline

Systemtic Name: N-[[4-(methoxymethyl)phenyl]methyl]-4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-[[4-(methoxymethyl)phenyl]methyl]-4-[(3-methyl-1-piperidyl)sulfonyl]-2-nitro-aniline CAS Name: N-[[4-(methoxymethyl)phenyl]methyl]-4-[(3-methyl-1-piperidinyl)sulfonyl]-2-nitroaniline IUPAC Name: N-[[4-(methoxymethyl)phenyl]methyl]-4-(3-methylpiperidin-1-yl)sulfonyl-2-nitroaniline Traditional Name: [4-(methoxymethyl)benzyl]-[4-(3-methylpiperidino)sulfonyl-2-nitro-phenyl]amine Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=C(C=C3)COC)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=C(C=C3)COC)[N+](=O)[O-]

InChI

InChI=1S/C21H27N3O5S/c1-16-4-3-11-23(14-16)30(27,28)19-9-10-20(21(12-19)24(25)26)22-13-17-5-7-18(8-6-17)15-29-2/h5-10,12,16,22H,3-4,11,13-15H2,1-2H3