N-(2-methyl-2-morpholin-4-yl-propyl)-4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-aniline

Systemtic Name: N-(2-methyl-2-morpholin-4-yl-propyl)-4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-(2-methyl-2-morpholino-propyl)-4-[(3-methyl-1-piperidyl)sulfonyl]-2-nitro-aniline CAS Name: N-[2-methyl-2-(4-morpholinyl)propyl]-4-[(3-methyl-1-piperidinyl)sulfonyl]-2-nitroaniline IUPAC Name: N-(2-methyl-2-morpholin-4-ylpropyl)-4-(3-methylpiperidin-1-yl)sulfonyl-2-nitroaniline Traditional Name: (2-methyl-2-morpholino-propyl)-[4-(3-methylpiperidino)sulfonyl-2-nitro-phenyl]amine Formula: C20H32N4O5S MolecularWeight: 440.55688

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCC(C)(C)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCC(C)(C)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H32N4O5S/c1-16-5-4-8-23(14-16)30(27,28)17-6-7-18(19(13-17)24(25)26)21-15-20(2,3)22-9-11-29-12-10-22/h6-7,13,16,21H,4-5,8-12,14-15H2,1-3H3