1-[3-nitro-4-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]phenyl]sulfonylazepane

Systemtic Name: 1-[3-nitro-4-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]phenyl]sulfonylazepane Openeye Name: 1-[3-nitro-4-[(2S)-2-(3-pyridyl)pyrrolidin-1-yl]phenyl]sulfonylazepane CAS Name: 1-[3-nitro-4-[(2S)-2-(3-pyridinyl)-1-pyrrolidinyl]phenyl]sulfonylazepane IUPAC Name: 1-[3-nitro-4-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]phenyl]sulfonylazepane Traditional Name: 1-[3-nitro-4-[(2S)-2-(3-pyridyl)pyrrolidino]phenyl]sulfonylazepane Formula: C21H26N4O4S MolecularWeight: 430.52054

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCCC3C4=CN=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCC[C@H]3C4=CN=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O4S/c26-25(27)21-15-18(30(28,29)23-12-3-1-2-4-13-23)9-10-20(21)24-14-6-8-19(24)17-7-5-11-22-16-17/h5,7,9-11,15-16,19H,1-4,6,8,12-14H2/t19-/m0/s1