2-[[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]amino]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]amino]-N-propan-2-yl-ethanamide Openeye Name: N-isopropyl-2-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-anilino]acetamide CAS Name: 2-[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-nitroanilino]-N-propan-2-ylacetamide IUPAC Name: 2-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitroanilino]-N-propan-2-ylacetamide Traditional Name: N-isopropyl-2-[4-[(3S)-3-methylpiperidino]sulfonyl-2-nitro-anilino]acetamide Formula: C17H26N4O5S MolecularWeight: 398.47714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N4O5S/c1-12(2)19-17(22)10-18-15-7-6-14(9-16(15)21(23)24)27(25,26)20-8-4-5-13(3)11-20/h6-7,9,12-13,18H,4-5,8,10-11H2,1-3H3,(H,19,22)/t13-/m0/s1