6-methoxy-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]pyridin-3-amine

Systemtic Name: 6-methoxy-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]pyridin-3-amine Openeye Name: 6-methoxy-N-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-phenyl]pyridin-3-amine CAS Name: 6-methoxy-N-[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-nitrophenyl]-3-pyridinamine IUPAC Name: 6-methoxy-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitrophenyl]pyridin-3-amine Traditional Name: (6-methoxy-3-pyridyl)-[4-[(3S)-3-methylpiperidino]sulfonyl-2-nitro-phenyl]amine Formula: C18H22N4O5S MolecularWeight: 406.45608

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NC3=CN=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NC3=CN=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O5S/c1-13-4-3-9-21(12-13)28(25,26)15-6-7-16(17(10-15)22(23)24)20-14-5-8-18(27-2)19-11-14/h5-8,10-11,13,20H,3-4,9,12H2,1-2H3/t13-/m0/s1