4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-N-(3-propan-2-yloxypropyl)aniline

Systemtic Name: 4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-N-(3-propan-2-yloxypropyl)aniline Openeye Name: N-(3-isopropoxypropyl)-4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-aniline CAS Name: 4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-nitro-N-(3-propan-2-yloxypropyl)aniline IUPAC Name: 4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-N-(3-propan-2-yloxypropyl)aniline Traditional Name: 3-isopropoxypropyl-[4-[(3S)-3-methylpiperidino]sulfonyl-2-nitro-phenyl]amine Formula: C18H29N3O5S MolecularWeight: 399.50496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCCOC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H29N3O5S/c1-14(2)26-11-5-9-19-17-8-7-16(12-18(17)21(22)23)27(24,25)20-10-4-6-15(3)13-20/h7-8,12,14-15,19H,4-6,9-11,13H2,1-3H3/t15-/m0/s1