N-(2-azanyl-2-azanylidene-1-piperidin-3-yl-ethyl)-3-[(4-iodophenyl)sulfonylamino]-3-(4-nitrophenyl)propanamide

Systemtic Name: N-(2-azanyl-2-azanylidene-1-piperidin-3-yl-ethyl)-3-[(4-iodophenyl)sulfonylamino]-3-(4-nitrophenyl)propanamide Openeye Name: N-[2-amino-2-imino-1-(3-piperidyl)ethyl]-3-[(4-iodophenyl)sulfonylamino]-3-(4-nitrophenyl)propanamide CAS Name: N-[2-amino-2-imino-1-(3-piperidinyl)ethyl]-3-[(4-iodophenyl)sulfonylamino]-3-(4-nitrophenyl)propanamide IUPAC Name: N-(2-amino-2-imino-1-piperidin-3-ylethyl)-3-[(4-iodophenyl)sulfonylamino]-3-(4-nitrophenyl)propanamide Traditional Name: N-[2-amino-2-imino-1-(3-piperidyl)ethyl]-3-[(4-iodophenyl)sulfonylamino]-3-(4-nitrophenyl)propionamide Formula: C22H27IN6O5S MolecularWeight: 614.45645

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)C(C(=N)N)NC(=O)CC(C2=CC=C(C=C2)[N+](=O)[O-])NS(=O)(=O)C3=CC=C(C=C3)I

Isomeric SMILES

C1CC(CNC1)C(C(=N)N)NC(=O)CC(C2=CC=C(C=C2)[N+](=O)[O-])NS(=O)(=O)C3=CC=C(C=C3)I

InChI

InChI=1S/C22H27IN6O5S/c23-16-5-9-18(10-6-16)35(33,34)28-19(14-3-7-17(8-4-14)29(31)32)12-20(30)27-21(22(24)25)15-2-1-11-26-13-15/h3-10,15,19,21,26,28H,1-2,11-13H2,(H3,24,25)(H,27,30)