N-[(2R)-3-methyl-2-morpholin-4-ium-4-yl-butyl]-4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-aniline

Systemtic Name: N-[(2R)-3-methyl-2-morpholin-4-ium-4-yl-butyl]-4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-aniline Openeye Name: N-[(2R)-3-methyl-2-morpholin-4-ium-4-yl-butyl]-4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-aniline CAS Name: N-[(2R)-3-methyl-2-(4-morpholin-4-iumyl)butyl]-4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-nitroaniline IUPAC Name: N-[(2R)-3-methyl-2-morpholin-4-ium-4-ylbutyl]-4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitroaniline Traditional Name: [(2R)-3-methyl-2-morpholin-4-ium-4-yl-butyl]-[4-[(3S)-3-methylpiperidino]sulfonyl-2-nitro-phenyl]amine Formula: C21H35N4O5S+ MolecularWeight: 455.5914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCC(C(C)C)[NH+]3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NC[C@@H](C(C)C)[NH+]3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H34N4O5S/c1-16(2)21(23-9-11-30-12-10-23)14-22-19-7-6-18(13-20(19)25(26)27)31(28,29)24-8-4-5-17(3)15-24/h6-7,13,16-17,21-22H,4-5,8-12,14-15H2,1-3H3/p+1/t17-,21-/m0/s1