N-[(2S)-2-morpholin-4-yl-2-thiophen-2-yl-ethyl]-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[(2S)-2-morpholin-4-yl-2-thiophen-2-yl-ethyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[(2S)-2-morpholino-2-(2-thienyl)ethyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[(2S)-2-(4-morpholinyl)-2-thiophen-2-ylethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[(2S)-2-morpholino-2-(2-thienyl)ethyl]-3-nitro-4-piperidino-benzamide Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC(C3=CC=CS3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC[C@@H](C3=CC=CS3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O4S/c27-22(23-16-20(21-5-4-14-31-21)25-10-12-30-13-11-25)17-6-7-18(19(15-17)26(28)29)24-8-2-1-3-9-24/h4-7,14-15,20H,1-3,8-13,16H2,(H,23,27)/t20-/m0/s1