N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-5-chloranyl-2-nitro-benzamide

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-5-chloranyl-2-nitro-benzamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-5-chloro-2-nitro-benzamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-5-chloro-2-nitrobenzamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-5-chloro-2-nitrobenzamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-5-chloro-2-nitro-benzamide Formula: C19H22ClN3O3S MolecularWeight: 407.91428

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(CNC(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-])C3=CSC=C3

Isomeric SMILES

C1CCCN(CC1)C(CNC(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-])C3=CSC=C3

InChI

InChI=1S/C19H22ClN3O3S/c20-15-5-6-17(23(25)26)16(11-15)19(24)21-12-18(14-7-10-27-13-14)22-8-3-1-2-4-9-22/h5-7,10-11,13,18H,1-4,8-9,12H2,(H,21,24)