N-(1-adamantylmethyl)-4-(3-nitrophenyl)sulfonyl-piperazine-1-carboxamide

Systemtic Name: N-(1-adamantylmethyl)-4-(3-nitrophenyl)sulfonyl-piperazine-1-carboxamide Openeye Name: N-(1-adamantylmethyl)-4-(3-nitrophenyl)sulfonyl-piperazine-1-carboxamide CAS Name: N-(1-adamantylmethyl)-4-(3-nitrophenyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: N-(1-adamantylmethyl)-4-(3-nitrophenyl)sulfonylpiperazine-1-carboxamide Traditional Name: N-(1-adamantylmethyl)-4-(3-nitrophenyl)sulfonyl-piperazine-1-carboxamide Formula: C22H30N4O5S MolecularWeight: 462.5624

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)NCC23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC=CC(=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)NCC23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC=CC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H30N4O5S/c27-21(23-15-22-12-16-8-17(13-22)10-18(9-16)14-22)24-4-6-25(7-5-24)32(30,31)20-3-1-2-19(11-20)26(28)29/h1-3,11,16-18H,4-10,12-15H2,(H,23,27)