2-(4-chloranyl-3-nitro-phenyl)-N-[4-[(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)carbonyl]piperidin-4-yl]ethanamide

Systemtic Name: 2-(4-chloranyl-3-nitro-phenyl)-N-[4-[(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)carbonyl]piperidin-4-yl]ethanamide Openeye Name: 2-(4-chloro-3-nitro-phenyl)-N-[4-[4-(thiophene-2-carbonyl)-1,4-diazepane-1-carbonyl]-4-piperidyl]acetamide CAS Name: 2-(4-chloro-3-nitrophenyl)-N-[4-[oxo-[4-[oxo(thiophen-2-yl)methyl]-1,4-diazepan-1-yl]methyl]-4-piperidinyl]acetamide IUPAC Name: 2-(4-chloro-3-nitrophenyl)-N-[4-[4-(thiophene-2-carbonyl)-1,4-diazepane-1-carbonyl]piperidin-4-yl]acetamide Traditional Name: 2-(4-chloro-3-nitro-phenyl)-N-[4-[4-(2-thenoyl)-1,4-diazepane-1-carbonyl]-4-piperidyl]acetamide Formula: C24H28ClN5O5S MolecularWeight: 534.02762

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2(CCNCC2)NC(=O)CC3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2(CCNCC2)NC(=O)CC3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)C4=CC=CS4

InChI

InChI=1S/C24H28ClN5O5S/c25-18-5-4-17(15-19(18)30(34)35)16-21(31)27-24(6-8-26-9-7-24)23(33)29-11-2-10-28(12-13-29)22(32)20-3-1-14-36-20/h1,3-5,14-15,26H,2,6-13,16H2,(H,27,31)