4-morpholin-4-yl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-yl-ethyl]-3-nitro-benzamide

Systemtic Name: 4-morpholin-4-yl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-yl-ethyl]-3-nitro-benzamide Openeye Name: 4-morpholino-N-[(2S)-2-morpholino-2-(2-thienyl)ethyl]-3-nitro-benzamide CAS Name: 4-(4-morpholinyl)-N-[(2S)-2-(4-morpholinyl)-2-thiophen-2-ylethyl]-3-nitrobenzamide IUPAC Name: 4-morpholin-4-yl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-3-nitrobenzamide Traditional Name: 4-morpholino-N-[(2S)-2-morpholino-2-(2-thienyl)ethyl]-3-nitro-benzamide Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)NCC(C3=CC=CS3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)NC[C@@H](C3=CC=CS3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O5S/c26-21(22-15-19(20-2-1-13-31-20)24-7-11-30-12-8-24)16-3-4-17(18(14-16)25(27)28)23-5-9-29-10-6-23/h1-4,13-14,19H,5-12,15H2,(H,22,26)/t19-/m0/s1