N-[1-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperidin-4-yl]benzamide

Systemtic Name: N-[1-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperidin-4-yl]benzamide Openeye Name: N-[1-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-4-piperidyl]benzamide CAS Name: N-[1-[4-(1-azepanylsulfonyl)-2-nitrophenyl]-4-piperidinyl]benzamide IUPAC Name: N-[1-[4-(azepan-1-ylsulfonyl)-2-nitrophenyl]piperidin-4-yl]benzamide Traditional Name: N-[1-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-4-piperidyl]benzamide Formula: C24H30N4O5S MolecularWeight: 486.5838

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCC(CC3)NC(=O)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCC(CC3)NC(=O)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H30N4O5S/c29-24(19-8-4-3-5-9-19)25-20-12-16-26(17-13-20)22-11-10-21(18-23(22)28(30)31)34(32,33)27-14-6-1-2-7-15-27/h3-5,8-11,18,20H,1-2,6-7,12-17H2,(H,25,29)